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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26149
- Core Entity Id
- 32254
- Source Entity Count
- 1
- Preferred Name
- Methyl allyl tetrasulfide
- Name En
- Pubchem Id
- 525329
- Smiles Canonical
- CSSSSCC=C
- Molecular Formula
- C4H8S4
- Molecular Weight
- 184.3760
- Inchikey
- BHIKXWJMZCALEK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
- Isomeric Smiles
- CSSSSCC=C
- Cas Id
- 90195-83-8
- Ob Score
- 9.2869
- Mol Logp
- 3.4800
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Allyl Tetrasulfide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl allyl tetrasulfide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methyl allyl tetrasulfide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl allyl tetrasulfide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl allyl tetrasulfide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-methyl-4-(prop-2-en-1-yl)tetrasulfane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-4-(prop-2-en-1-yl)tetrasulfane
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methyl-4-(prop-2-en-1-yl)tetrasulfane
Role
alias
Source
TCMBank
Preferred
No
Name
3-(methyltetrasulanyl)prop-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(methyltetrasulanyl)prop-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(methyltetrasulfanyl)prop-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(methyltetrasulfanyl)prop-1-ene
Role
alias
Source
TCMBank
Preferred
No
Name
3-(methyltetrasulfanyl)prop-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyldisulfanyldisulfanylprop-1-ene
Role
alias
Source
TCMBank
Preferred
No
Name
90195-83-8
Role
alias
Source
HERB_v2
Preferred
No
Name
90195-83-8
Role
alias
Source
TCMBank
Preferred
No
Name
90195-83-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LB0I4
Role
alias
Source
TCMBank
Preferred
No
Name
Allyl methyl tetrasulfide
Role
alias
Source
TCMBank
Preferred
No
Name
Allylmethyl pertetrasulfide
Role
alias
Source
TCMBank
Preferred
No
Name
BHIKXWJMZCALEK-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
CTK3I5855
Role
alias
Source
TCMBank
Preferred
No
Name
DTXCID60286560
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60286560
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10335471
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID10335471
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10335471
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 2-propenyl tetrasulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 2-propenyl tetrasulfide
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl 2-propenyl tetrasulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 2-propenyl tetrasulphide
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 2-propenyl tetrasulphide
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2931131
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2931131
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2931131
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetrasulfide, methyl 2-propenyl
Role
alias
Source
TCMBank
Preferred
No
Name
Tetrasulfide, methyl2-propen-1-yl
Role
alias
Source
TCMBank
Preferred
No
Name
allyl methyl tetrasulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
allyl methyl tetrasulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
allyldisulfanyldisulfanylmethane
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-methyl-4-(prop-2-en-1-yl)tetrasulfane3-(methyltetrasulanyl)prop-1-ene3-(methyltetrasulfanyl)prop-1-ene3-methyldisulfanyldisulfanylprop-1-ene90195-83-8AC1LB0I4Allyl methyl tetrasulfideAllylmethyl pertetrasulfideBHIKXWJMZCALEK-UHFFFAOYSA-NCTK3I5855DTXCID60286560DTXSID10335471Methyl 2-propenyl tetrasulfideMethyl 2-propenyl tetrasulphideSCHEMBL2931131Tetrasulfide, methyl 2-propenylTetrasulfide, methyl2-propen-1-ylallyldisulfanyldisulfanylmethane
Cross References
Trusted external identifiers retained for this final record.
Cas
90195-83-8
Herb
HBIN015257HBIN035085
Npass
NPC96337
Tcmid
951
Tcmsp
MOL008362
Sym Map
SMIT09667SMIT14248
Pub Chem
525329
Tcmbank
TCMBANKIN061947
Etcm Ingredient
Methyl allyl tetrasulfide
Itcmdb Generated
ITX-INGREDIENT-6202C76B7C9F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
Mol Wt
184.376
Cas Id
90195-83-8
Smiles
CSSSSCC=C
Mol Log P
3.480000000000001
Version
v1,v2
In Ch Ikey
BHIKXWJMZCALEK-UHFFFAOYSA-N
Ob Score
9.2868835539.2868849.287
Suppress
0
Num Hdonors
0
Drug Likeness
0.364
Num Hacceptors
4
Isomeric Smiles
CSSSSCC=C
Molecule Weight
184.4
Canonical Smiles
CSSSSCC=C
Herb Alias Names
allyl methyl tetrasulfide3-(methyltetrasulfanyl)prop-1-ene90195-83-8Methyl 2-propenyl tetrasulfide1-methyl-4-(prop-2-en-1-yl)tetrasulfaneDTXSID10335471Methyl 2-propenyl tetrasulphideSCHEMBL2931131DTXCID602865603-(methyltetrasulanyl)prop-1-ene
Molecular Weight
183.950
Molecular Weight
184.4 g/mol
Molecular Formula
C4H8S4
Molecular Formula
C4H8S4
Molecular Formula
C4H8S4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.054
Quantitative Estimate Of Drug Likeness（Qed）
0.364