Ethanethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-

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Basic information

CAS: 61260-06-8
Standard SMILES: CN(CCS)CCN(C)CCS
InChIKey: IKSKPHCIYZLPDR-UHFFFAOYSA-N
Molecular formula: C8H20N2S2
Average molar mass: 208.4 g/mol
Monoisotopic mass: 208.10679099

Names & identifiers

Preferred name: Ethanethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-
IUPAC: 2-[methyl-[2-[methyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol

Names & synonyms

61260-06-8Ethanethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-SCHEMBL11223201DTXSID30413301N,N'-dimethyl-N,N'-bis(2-mercaptoethyl)ethylenediamine2,2'-[Ethane-1,2-diylbis(methylazanediyl)]di(ethane-1-thiol)

Database identifiers

CAS: 61260-06-8
PubChem CID: 5250841
DTXSID: DTXSID30413301
Nikkaji: J1.042.960I

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 8.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 89.1

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Compound notes

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