Basic information
- CAS
153124-23-3- Standard SMILES
CCCN1C(=C(C#N)CS)Sc2ccccc21- InChIKey
UPUGSOIFXZZBRF-UHFFFAOYSA-N- Molecular formula
- C13H14N2S2
- Average molar mass
- 262.4 g/mol
Names & identifiers
- Preferred name
- 2-(3-Propyl-1,3-benzothiazol-2-ylidene)-3-sulfanylpropanenitrile
- IUPAC
- 2-(3-propyl-1,3-benzothiazol-2-ylidene)-3-sulfanylpropanenitrile
- English name
- Propanenitrile, 3-mercapto-2-(3-propyl-2(3H)-benzothiazolylidene)- (9CI)
- Molecular formula
- C13H14N2S2
- Molecular weight
- 262.39
Names & synonyms
Propanenitrile, 3-mercapto-2-(3-propyl-2(3H)-benzothiazolylidene)-Propanenitrile, 3-mercapto-2-(3-propyl-2(3H)-benzothiazolylidene)- (9CI)
Database identifiers
- CAS
153124-23-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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