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: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68660
- Core Entity Id
- 131309
- Source Entity Count
- 1
- Preferred Name
- 4-methylthiobutylisothiocyanate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C6H11NS2
- Molecular Weight
- 161.0300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-methylthiobutylisothiocyanate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-methylthiobutylisothiocyanate
Itcmdb Generated
ITX-INGREDIENT-F72A8462F210
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
161.030
Molecular Formula
C6H11NS2
Fda Maximum Daily Dose (Fdamdd)
0.178
Quantitative Estimate Of Drug Likeness（Qed）
0.348