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20654-67-5 | 2-Butenedinitrile, 2,3-dimercapto-
CAS No: 20654-67-5 Catalog No: AG002IIQ MDL No:
Product Description
Catalog Number:
AG002IIQ
Chemical Name:
2-Butenedinitrile, 2,3-dimercapto-
CAS Number:
20654-67-5
Molecular Formula:
C4H2N2S2
Molecular Weight:
142.2021
IUPAC Name:
2,3-bis(sulfanyl)but-2-enedinitrile
InChI:
InChI=1S/C4H2N2S2/c5-1-3(7)4(8)2-6/h7-8H
InChI Key:
DMDOIBWPFWJPQJ-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)S)S
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.966g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.194g/mol
Monoisotopic Mass:
141.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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