IngredientID 17302

Dimetilsolfato

C2H6O4S

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 1Ingredient: 1Target: 4Links: 5

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17302
Core Entity Id: 22401
Source Entity Count: 1
Preferred Name: Dimetilsolfato
Name En
Pubchem Id: 6497
Smiles Canonical: COS(=O)(=O)OC
Molecular Formula: C2H6O4S
Molecular Weight: 126.1330
Inchikey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
Inchi: InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
Isomeric Smiles: COS(=O)(=O)OC
Cas Id: 139443-72-4
Ob Score: 55.1120
Mol Logp: -0.4760
Num H Donors: 0
Num H Acceptors: 4
Num Rotatable Bonds: 2
Drug Likeness: 0.5010
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Dimetilsolfato

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Dimetilsolfato

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Dimetilsolfato

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Dimetilsolfato

Role

preferred

Source

TCMBank

Preferred

Yes

Name

139443-72-4

Role

alias

Source

TCMBank

Preferred

Name

320293_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

4-01-00-01251 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

41610_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

62086-97-9

Role

alias

Source

TCMBank

Preferred

Name

77-78-1

Role

alias

Source

HERB_v2

Preferred

Name

77-78-1

Role

alias

Source

TCMBank

Preferred

Name

77-78-1

Role

alias

Source

itcmdb_public

Preferred

Name

98478-67-2

Role

alias

Source

TCMBank

Preferred

Name

AI3-52118

Role

alias

Source

TCMBank

Preferred

Name

BRN 0635994

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 265

Role

alias

Source

TCMBank

Preferred

Name

D186309_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

DIMETHYL SULFATE

Role

alias

Source

HERB_v2

Preferred

Name

DMS (Methyl sulfate)

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl monosulfate

Role

alias

Source

HERB_v2

Preferred

Name

Dimethyl monosulfate

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl monosulfate

Role

alias

Source

itcmdb_public

Preferred

Name

Dimethyl sulfate

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl sulfate [UN1595] [Poison]

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl sulphate

Role

alias

Source

HERB_v2

Preferred

Name

Dimethyl sulphate

Role

alias

Source

TCMBank

Preferred

Name

Dimethyl sulphate

Role

alias

Source

itcmdb_public

Preferred

Name

Dimethylester kyseliny sirove

Role

alias

Source

TCMBank

Preferred

Name

Dimethylester kyseliny sirove [Czech]

Role

alias

Source

TCMBank

Preferred

Name

Dimethylsulfaat

Role

alias

Source

itcmdb_public

Preferred

Name

Dimethylsulfaat

Role

alias

Source

HERB_v2

Preferred

Name

Dimethylsulfaat

Role

alias

Source

TCMBank

Preferred

Name

Dimethylsulfaat [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

Dimethylsulfat

Role

alias

Source

HERB_v2

Preferred

Name

Dimethylsulfat

Role

alias

Source

itcmdb_public

Preferred

Name

Dimethylsulfat

Role

alias

Source

TCMBank

Preferred

Name

Dimethylsulfat [Czech]

Role

alias

Source

TCMBank

Preferred

Name

Dimetilsolfato [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Dwumetylowy siarczan

Role

alias

Source

TCMBank

Preferred

Name

Dwumetylowy siarczan [Polish]

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-058-1

Role

alias

Source

TCMBank

Preferred

Name

HSDB 932

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H

Role

alias

Source

TCMBank

Preferred

Name

Methyl sulfate (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Methyl sulfate, Me2SO4

Role

alias

Source

TCMBank

Preferred

Name

Methyle (sulfate de)

Role

alias

Source

TCMBank

Preferred

Name

Methyle (sulfate de) [French]

Role

alias

Source

TCMBank

Preferred

Name

NSC56194

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste no. U103

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste number U103

Role

alias

Source

TCMBank

Preferred

Name

ST5214345

Role

alias

Source

TCMBank

Preferred

Name

Sulfate de dimethyle [French]

Role

alias

Source

TCMBank

Preferred

Name

Sulfate de methyle

Role

alias

Source

TCMBank

Preferred

Name

Sulfate dimethylique

Role

alias

Source

HERB_v2

Preferred

Name

Sulfate dimethylique

Role

alias

Source

TCMBank

Preferred

Name

Sulfate dimethylique

Role

alias

Source

itcmdb_public

Preferred

Name

Sulfate dimethylique [French]

Role

alias

Source

TCMBank

Preferred

Name

Sulfato de dimetilo [Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Sulfuric acid dimethyl ester

Role

alias

Source

itcmdb_public

Preferred

Name

Sulfuric acid, dimethyl ester

Role

alias

Source

HERB_v2

Preferred

Name

UN1595

Role

alias

Source

TCMBank

Preferred

Name

WLN: 1OSWO1

Role

alias

Source

TCMBank

Preferred

Name

dimethylsulfate

Role

alias

Source

itcmdb_public

Preferred

Name

sulfuric acid dimethyl ester

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

139443-72-4320293_ALDRICH4-01-00-01251 (Beilstein Handbook Reference)41610_FLUKA62086-97-977-78-198478-67-2AI3-52118BRN 0635994CCRIS 265D186309_ALDRICHDIMETHYL SULFATEDMS (Methyl sulfate)Dimethyl monosulfateDimethyl sulfate [UN1595] [Poison]Dimethyl sulphateDimethylester kyseliny siroveDimethylester kyseliny sirove [Czech]DimethylsulfaatDimethylsulfaat [Dutch]DimethylsulfatDimethylsulfat [Czech]Dimetilsolfato [Italian]Dwumetylowy siarczanDwumetylowy siarczan [Polish]EINECS 201-058-1HSDB 932InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2HMethyl sulfate (VAN)Methyl sulfate, Me2SO4Methyle (sulfate de)Methyle (sulfate de) [French]NSC56194RCRA waste no. U103RCRA waste number U103ST5214345Sulfate de dimethyle [French]Sulfate de methyleSulfate dimethyliqueSulfate dimethylique [French]Sulfato de dimetilo [Spanish]Sulfuric acid dimethyl esterSulfuric acid, dimethyl esterUN1595WLN: 1OSWO1dimethylsulfate

Cross References

Trusted external identifiers retained for this final record.

Cas

139443-72-4

Herb

HBIN024090

Tcmsp

MOL010675

Sym Map

SMIT11683

Pub Chem

6497

Tcmbank

TCMBANKIN010251

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

Mol Wt

126.133

Cas Id

139443-72-4

Smiles

COS(=O)(=O)OC

Mol Log P

-0.476

Version

v1,v2

In Ch Ikey

VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Ob Score

55.11255.1124858155.112486

Suppress

Num Hdonors

Drug Likeness

0.501

Num Hacceptors

Isomeric Smiles

COS(=O)(=O)OC

Molecule Weight

126.15

Canonical Smiles

COS(=O)(=O)OC

Herb Alias Names

DIMETHYL SULFATE77-78-1Dimethyl sulphatedimethylsulfateSulfuric acid, dimethyl esterDimethyl monosulfateDimethylsulfatSulfate dimethyliqueSulfuric acid dimethyl esterDimethylsulfaat

Molecular Weight

126.13

Molecular Formula

C2H6O4S

Molecular Formula

C2H6O4S

Num Rotatable Bonds