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94811-15-1 | 5-Thiazolidinone, 4-thioxo-
CAS No: 94811-15-1 Catalog No: AG005V2P MDL No:
Product Description
Catalog Number:
AG005V2P
Chemical Name:
5-Thiazolidinone, 4-thioxo-
CAS Number:
94811-15-1
Molecular Formula:
C3H3NOS2
Molecular Weight:
133.1920
IUPAC Name:
4-sulfanylidene-1,3-thiazolidin-5-one
InChI:
InChI=1S/C3H3NOS2/c5-3-2(6)4-1-7-3/h1H2,(H,4,6)
InChI Key:
YLWKMCXRBKCUNC-UHFFFAOYSA-N
SMILES:
S=C1NCSC1=O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.966g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.183g/mol
Monoisotopic Mass:
132.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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