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175136-86-4 | Acetonitrile, 2,2'-sulfinylbis- (9CI)
CAS No: 175136-86-4 Catalog No: AG0020AH MDL No:
Product Description
Catalog Number:
AG0020AH
Chemical Name:
Acetonitrile, 2,2'-sulfinylbis- (9CI)
CAS Number:
175136-86-4
Molecular Formula:
C4H4N2OS
Molecular Weight:
128.1524
IUPAC Name:
2-(cyanomethylsulfinyl)acetonitrile
InChI:
InChI=1S/C4H4N2OS/c5-1-3-8(7)4-2-6/h3-4H2
InChI Key:
WPJINIOPTBCURQ-UHFFFAOYSA-N
SMILES:
N#CCS(=O)CC#N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.149g/mol
Monoisotopic Mass:
128.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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