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117018-97-0 | Ethanedithioamide, N1,N2-bis[2-(2-oxo-1-pyrrolidinyl)ethyl]-
CAS No: 117018-97-0 Catalog No: AG000DKO MDL No:
Product Description
Catalog Number:
AG000DKO
Chemical Name:
Ethanedithioamide, N1,N2-bis[2-(2-oxo-1-pyrrolidinyl)ethyl]-
CAS Number:
117018-97-0
Molecular Formula:
C14H22N4O2S2
Molecular Weight:
342.4801
IUPAC Name:
N',N'-bis[2-(2-oxopyrrolidin-1-yl)ethyl]ethanedithioamide
InChI:
InChI=1S/C14H22N4O2S2/c15-13(21)14(22)18(9-7-16-5-1-3-11(16)19)10-8-17-6-2-4-12(17)20/h1-10H2,(H2,15,21)
InChI Key:
YJSNGKYJOVOXNM-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CCNC(=S)C(=S)NCCN1CCCC1=O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.476g/mol
Monoisotopic Mass:
342.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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