Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17043
- Core Entity Id
- 22114
- Source Entity Count
- 1
- Preferred Name
- Diethyl disulfoxide
- Name En
- Pubchem Id
- 14782794
- Smiles Canonical
- CCS(=O)S(=O)CC
- Molecular Formula
- C4H10O2S2
- Molecular Weight
- 154.2560
- Inchikey
- SXCOSRLGONUHMA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10O2S2/c1-3-7(5)8(6)4-2/h3-4H2,1-2H3
- Isomeric Smiles
- CCS(=O)S(=O)CC
- Cas Id
- Ob Score
- Mol Logp
- 0.4386
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diethyl Disulfoxide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Diethyl Disulfoxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Diethyl disulfoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Diethyl disulfoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Diethyl disulfoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL22026743
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL22026743
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL22026743
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023755
Npass
NPC260960
Tcmid
39683
Sym Map
SMIT23551
Pub Chem
14782794
Tcmbank
TCMBANKIN028237
Itcmdb Generated
ITX-INGREDIENT-9537706CD0F1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H10O2S2/c1-3-7(5)8(6)4-2/h3-4H2,1-2H3
Mol Wt
154.256
Smiles
CCS(=O)S(=O)CC
Mol Log P
0.4386
Version
v2
In Ch Ikey
SXCOSRLGONUHMA-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.553
Num Hacceptors
2
Isomeric Smiles
CCS(=O)S(=O)CC
Canonical Smiles
CCS(=O)S(=O)CC
Herb Alias Names
SCHEMBL22026743
Molecular Weight
154.3 g/mol
Molecular Formula
C4H10O2S2
Molecular Formula
C4H10O2S2
Num Rotatable Bonds
3