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82358-08-5 | 2(5H)-Thiazolone
CAS No: 82358-08-5 Catalog No: AG005413 MDL No:
Product Description
Catalog Number:
AG005413
Chemical Name:
2(5H)-Thiazolone
CAS Number:
82358-08-5
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
IUPAC Name:
5H-1,3-thiazol-2-one
InChI:
InChI=1S/C3H3NOS/c5-3-4-1-2-6-3/h1H,2H2
InChI Key:
SCCXADHXVLCUPI-UHFFFAOYSA-N
SMILES:
C1SC(=O)N=C1
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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