Cyclobutanemethanethiol, 2-amino-, hydrochloride, (E)-

HCID 41364

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Basic information

CAS: 55217-61-3
Standard SMILES: Cl.N[C@@H]1CC[C@H]1CS
InChIKey: AQWXWWDWJQADPU-UYXJWNHNSA-N
Molecular formula: C5H12ClNS
Average molar mass: 153.67 g/mol
Monoisotopic mass: 153.0378983

Names & identifiers

Preferred name: Cyclobutanemethanethiol, 2-amino-, hydrochloride, (E)-
IUPAC: [(1R,2R)-2-aminocyclobutyl]methanethiol;hydrochloride

Names & synonyms

55217-61-3CYCLOBUTANEMETHANETHIOL, 2-AMINO-, HYDROCHLORIDE, (E)-RefChem:1082432(trans)-2-Mercaptomethylcyclobutylamine hydrochloridetrans-1-Amino-2-mercaptomethylcyclobutane hydrochlorideDTXSID10970548(2-Aminocyclobutyl)methanethiol--hydrogen chloride (1/1)[(1R,2R)-2-Aminocyclobutyl]methanethiol--hydrogen chloride (1/1)

Database identifiers

CAS: 55217-61-3
PubChem CID: 41364
DTXSID: DTXSID10970548

Properties

Computed structural properties

Topological polar surface area: 27 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 65.1

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