Basic information
- Standard SMILES
CSC(SC)=C(C#N)c1nc2ccccc2s1- InChIKey
XSLRPBDCUWYKEC-UHFFFAOYSA-N- Molecular formula
- C12H10N2S3
- Average molar mass
- 278.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzothiazol-2-yl-3,3-bis-methylsulfanylacrylonitrile
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Names & synonyms
Maybridge3_001497SCHEMBL686569XSLRPBDCUWYKEC-UHFFFAOYSA-NHMS1435E01NSC790035CCG-240884NSC-790035IDI1_0128842-benzothiazol-2-yl-3,3-bismethylsulfanylacrylonitrile2-benzothiazol-2-yl-3,3-bis-methylsulfanylacrylonitrile
Database identifiers
- PubChem CID
- 2807727
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
15 records
Compound notes
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