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1934645-67-6 | 6-methyl-2H,3H,6H-1lambda6-pyrazolo[4,3-d][1,2]thiazole-1,1,3-trione
CAS No: 1934645-67-6 Catalog No: AG019Z0J MDL No:MFCD30197385
Product Description
Catalog Number:
AG019Z0J
Chemical Name:
6-methyl-2H,3H,6H-1lambda6-pyrazolo[4,3-d][1,2]thiazole-1,1,3-trione
CAS Number:
1934645-67-6
Molecular Formula:
C5H5N3O3S
Molecular Weight:
187.1765
MDL Number:
MFCD30197385
IUPAC Name:
6-methyl-1,1-dioxopyrazolo[4,3-d][1,2]thiazol-3-one
InChI:
InChI=1S/C5H5N3O3S/c1-8-5-3(2-6-8)4(9)7-12(5,10)11/h2H,1H3,(H,7,9)
InChI Key:
TZWQPTMTZHBFEE-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1cnn2C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.173g/mol
Monoisotopic Mass:
187.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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