Basic information
- Standard SMILES
OCCSSc1nc2ccccc2s1- InChIKey
WUSROTWQYNVPMM-UHFFFAOYSA-N- Molecular formula
- C9H9NOS3
- Average molar mass
- 243.4 g/mol
- Monoisotopic mass
- 242.98462743
Names & identifiers
- Preferred name
- 2-Hydroxyethyl dithiobenzthiazole
- IUPAC
- 2-(1,3-benzothiazol-2-yldisulfanyl)ethanol
Names & synonyms
SCHEMBL80891292-hydroxyethyl dithiobenzthiazoleWUSROTWQYNVPMM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10243516
- Nikkaji
- J629.129E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
1 records
Compound notes
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