N,N-bis(2-mercaptoethyl)methylamine

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Basic information

CAS: 19031-92-6
Standard SMILES: CN(CCS)CCS
InChIKey: LDMPOFWHXYWQQY-UHFFFAOYSA-N
Molecular formula: C5H13NS2
Average molar mass: 151.3 g/mol
Monoisotopic mass: 151.04894177

Overview

structure in first source

Names & identifiers

Preferred name: N,N-bis(2-mercaptoethyl)methylamine
IUPAC: 2-[methyl(2-sulfanylethyl)amino]ethanethiol

Names & synonyms

N,N-bis(2-mercaptoethyl)methylamine19031-92-6DTXSID30321119RefChem:161099DTXCID002722402,2'-(Methylazanediyl)bis(ethane-1-thiol)SCHEMBL2462100bis(2-mercapto-ethyl)methylamine2,2'-(Methylazanediyl)di(ethane-1-thiol)

Database identifiers

CAS: 19031-92-6
PubChem CID: 340247
DTXSID: DTXSID30321119
Nikkaji: J1.381.953J

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 5.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 43.7

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Compound notes

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