Basic information
- Standard SMILES
CN=C(NC#N)NCCSCc1ccsn1- InChIKey
NOWKAOWUDOXYTF-UHFFFAOYSA-N- Molecular formula
- C9H13N5S2
- Average molar mass
- 255.4 g/mol
Names & identifiers
- Preferred name
- N-cyano-N'-[2-(3-isothiazolylmethylthio)ethyl]-N"-methylguanidine
- IUPAC
- 1-cyano-2-methyl-3-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]guanidine
Names & synonyms
SCHEMBL7649334SCHEMBL7649335SCHEMBL7649336SCHEMBL11355873NOWKAOWUDOXYTF-UHFFFAOYSA-NN-cyano-N'-[2-(3-isothiazolylmethylthio)ethyl]-N"-methylguanidine
Database identifiers
- PubChem CID
- 9992541
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
24 records
Compound notes
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