Basic information
- CAS
98961-99-0- Standard SMILES
N=C(N)SCCCCCN- InChIKey
PRQXRGDWKNWLRS-UHFFFAOYSA-N- Molecular formula
- C6H15N3S
- Average molar mass
- 161.27 g/mol
- Monoisotopic mass
- 161.09866866
Names & identifiers
- Preferred name
- 5-Aminopentyl carbamimidothioate
- IUPAC
- 5-aminopentyl carbamimidothioate
Names & synonyms
5-aminopentyl carbamimidothioatePseudourea, 2-(5-aminopentyl)-2-thio-DTXSID50128649498961-99-0
Database identifiers
- CAS
98961-99-0- PubChem CID
- 113992
- DTXSID
DTXSID501286494
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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