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89691-91-8 | 3-Thiazolidinepropanenitrile,2-oxo-, 1,1-dioxide
CAS No: 89691-91-8 Catalog No: AG0044AU MDL No:
Product Description
Catalog Number:
AG0044AU
Chemical Name:
3-Thiazolidinepropanenitrile,2-oxo-, 1,1-dioxide
CAS Number:
89691-91-8
Molecular Formula:
C6H8N2O3S
Molecular Weight:
188.2043
IUPAC Name:
3-(1,1,2-trioxo-1,3-thiazolidin-3-yl)propanenitrile
InChI:
InChI=1S/C6H8N2O3S/c7-2-1-3-8-4-5-12(10,11)6(8)9/h1,3-5H2
InChI Key:
FHPRCBXFSDDHNH-UHFFFAOYSA-N
SMILES:
N#CCCN1CCS(=O)(=O)C1=O
NSC Number:
122623
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.201g/mol
Monoisotopic Mass:
188.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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