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16890-75-8 | Propanedinitrile, 2-thioxo-
CAS No: 16890-75-8 Catalog No: AG001YDY MDL No:
Product Description
Catalog Number:
AG001YDY
Chemical Name:
Propanedinitrile, 2-thioxo-
CAS Number:
16890-75-8
Molecular Formula:
C3N2S
Molecular Weight:
96.1105
IUPAC Name:
2-sulfanylidenepropanedinitrile
InChI:
InChI=1S/C3N2S/c4-1-3(6)2-5
InChI Key:
WYYSSKKRQKPVFL-UHFFFAOYSA-N
SMILES:
N#CC(=S)C#N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.978g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.107g/mol
Monoisotopic Mass:
95.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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