2-(Aminomethyl)cyclobutane-1-thiol--hydrogen chloride (1/1)

HCID 38896

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Basic information

CAS: 41551-80-8
Standard SMILES: [Cl-].[NH3+]C[C@@H]1CC[C@H]1S
InChIKey: LLQWRFCGJTVBGN-UYXJWNHNSA-N
Molecular formula: C5H12ClNS
Average molar mass: 153.67 g/mol
Monoisotopic mass: 153.0378983

Names & identifiers

Preferred name: 2-(Aminomethyl)cyclobutane-1-thiol--hydrogen chloride (1/1)
IUPAC: [(1S,2R)-2-sulfanylcyclobutyl]methylazanium chloride

Names & synonyms

41551-80-8DTXSID209618062-(Aminomethyl)cyclobutane-1-thiol--hydrogen chloride (1/1)RefChem:1061435DTXCID001389623(trans)-2-Mercaptocyclobutylmethylamine hydrochlorideCyclobutane, 1-aminomethyl-2-mercapto-, hydrochlorideMethylamine, 2-mercaptocyclobutyl-, hydrochloride, (E)-CYCLOBUTANETHIOL, 2-AMINOMETHYL-, HYDROCHLORIDE, (E)-

Database identifiers

CAS: 41551-80-8
PubChem CID: 38896

Properties

Computed structural properties

Topological polar surface area: 28.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 65.1

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