Free Chemical Databases
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[Synonyms]
2-(Dibutylamino)ethanethiol
Ethanethiol, 2-(dibutylamino)-
N-Di-n-butylcysteamin [German]
BRN 0969334
LS-65904
4-04-00-01602 (Beilstein Handbook Reference)
5842-08-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 189.36132 [g/mol] Molecular Formula C10H23NS XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 8 Exact Mass 189.15512 MonoIsotopic Mass 189.15512 Topological Polar Surface Area 3.2 Heavy Atom Count 12 Formal Charge 0 Complexity 77.9 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(dibutylamino)ethanethiol
Canonical SMILES: CCCCN(CCCC)CCS
InChI: InChI=1/C10H23NS/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
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