01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4-methylsulfinyl butyl isothiocyanate
- Molecular Formula
- C6H11NOS2
- Molecular Weight
- No data
- Canonical SMILES
- CS(=O)CCCCN=C=S
- Isomeric SMILES
- CS(=O)CCCCN=C=S
- InChI
- InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.359
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient4 Herbs