N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane

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Basic information

CAS: 51122-73-7
Standard SMILES: CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C
InChIKey: PCNVGFGGUCULPT-UHFFFAOYSA-N
Molecular formula: C14H28N2O2S2
Average molar mass: 320.5 g/mol
Monoisotopic mass: 320.15922049

Names & identifiers

Preferred name: N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane
IUPAC: S-(2-methylpropyl) N-ethyl-N-[2-(2-methylpropylsulfanylcarbonylamino)ethyl]carbamothioate

Names & synonyms

N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethaneBRN 228035951122-73-7DTXSID80199143Carbamothioic acid, ethyl(2-((((2-methylpropyl)thio)carbonyl)amino)ethyl)-, S-(2-methylpropyl) esterRefChem:363910DTXCID10121634S-(2-Methylpropyl) ethyl[2-({[(2-methylpropyl)sulfanyl]carbonyl}amino)ethyl]carbamothioate

Database identifiers

CAS: 51122-73-7
PubChem CID: 39900
DTXSID: DTXSID80199143
Nikkaji: J246.565E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 20
Formal charge: 0
Complexity: 297

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Compound notes

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