Pseudourea, 2-(hexylthiomethyl)-2-thio-, hydrochloride

HCID 3056808

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Basic information

CAS: 73840-02-5
Standard SMILES: CCCCCCSCSC(=N)N.Cl
InChIKey: NHYQMYPGOOMPDF-UHFFFAOYSA-N
Molecular formula: C8H19ClN2S2
Average molar mass: 242.8 g/mol
Monoisotopic mass: 242.0678187

Names & identifiers

Preferred name: Pseudourea, 2-(hexylthiomethyl)-2-thio-, hydrochloride
IUPAC: hexylsulfanylmethyl carbamimidothioate;hydrochloride

Names & synonyms

S-(n-Hexylthiomethyl)isothiuronium hydrochloridePseudourea, 2-(hexylthiomethyl)-2-thio-, hydrochloride73840-02-52-(Hexylthiomethyl)-2-thiopsedourea hydrochlorideDTXSID50224390RefChem:375753DTXCID50146881(Hexylsulfanyl)methyl carbamimidothioate--hydrogen chloride (1/1)

Database identifiers

CAS: 73840-02-5
PubChem CID: 3056808
DTXSID: DTXSID50224390

Properties

Computed structural properties

Topological polar surface area: 100 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 118

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