Basic information
- CAS
46231-44-1- Standard SMILES
NC(N)=NCCSc1ccccc1- InChIKey
ISXGRENLXFCZDO-UHFFFAOYSA-N- Molecular formula
- C9H13N3S
- Average molar mass
- 195.29 g/mol
- Monoisotopic mass
- 195.0830186
Names & identifiers
- Preferred name
- Guanidine, (2-(phenylthio)ethyl)-
- IUPAC
- 2-(2-phenylsulfanylethyl)guanidine
Names & synonyms
(2-(Phenylthio)ethyl)guanidine2-(Phenylmercapto)ethylguanidineBRN 252653146231-44-1GUANIDINE, (2-(PHENYLTHIO)ETHYL)-RefChem:346728DTXSID50963530N-[2-(Phenylsulfanyl)ethyl]guanidineAKOS009145670
Database identifiers
- CAS
46231-44-1- PubChem CID
- 39442
- DTXSID
DTXSID50963530
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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