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85559-04-2 | 1,4,2-Dithiazol-5-one, 3-methyl-
CAS No: 85559-04-2 Catalog No: AG004UH4 MDL No:
Product Description
Catalog Number:
AG004UH4
Chemical Name:
1,4,2-Dithiazol-5-one, 3-methyl-
CAS Number:
85559-04-2
Molecular Formula:
C3H3NOS2
Molecular Weight:
133.1920
IUPAC Name:
3-methyl-1,4,2-dithiazol-5-one
InChI:
InChI=1S/C3H3NOS2/c1-2-4-7-3(5)6-2/h1H3
InChI Key:
DEISBKXZGHZOIO-UHFFFAOYSA-N
SMILES:
Cc1nsc(=O)s1
Properties
Complexity:
131
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.183g/mol
Monoisotopic Mass:
132.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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