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115900-54-4 | Ethanesulfenothioic acid, 2-[(3-aminopropyl)amino]-
CAS No: 115900-54-4 Catalog No: AG000H2Y MDL No:
Product Description
Catalog Number:
AG000H2Y
Chemical Name:
Ethanesulfenothioic acid, 2-[(3-aminopropyl)amino]-
CAS Number:
115900-54-4
Molecular Formula:
C5H14N2S2
Molecular Weight:
166.3081
IUPAC Name:
N'-[2-(disulfanyl)ethyl]propane-1,3-diamine
InChI:
InChI=1S/C5H14N2S2/c6-2-1-3-7-4-5-9-8/h7-8H,1-6H2
InChI Key:
GVSAYHGUYNABRI-UHFFFAOYSA-N
SMILES:
NCCCNCCSS
Properties
Complexity:
52.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.06g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.301g/mol
Monoisotopic Mass:
166.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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