Basic information
- Standard SMILES
COCCC(=O)Nc1nc2ccc(SC#N)cc2s1- InChIKey
DVSLYWVRWOVKBR-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2S2
- Average molar mass
- 293.4 g/mol
Names & identifiers
- Preferred name
- 2-[(3-Methoxypropanoyl)amino]-1,3-benzothiazol-6-ylthiocyanate
- IUPAC
- [2-(3-methoxypropanoylamino)-1,3-benzothiazol-6-yl] thiocyanate
Names & synonyms
SCHEMBL612851DVSLYWVRWOVKBR-UHFFFAOYSA-N2-[(3-methoxypropanoyl)amino]-1,3-benzothiazol-6-yl thiocyanate2-[(3-methoxypropanoyl)amino]-1,3-benzothiazol-6-ylthiocyanate
Database identifiers
- PubChem CID
- 86647897
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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