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839675-46-6 | 4,7-Benzothiazoledione, 2-methyl-
CAS No: 839675-46-6 Catalog No: AG0052S0 MDL No:MFCD24689937
Product Description
Catalog Number:
AG0052S0
Chemical Name:
4,7-Benzothiazoledione, 2-methyl-
CAS Number:
839675-46-6
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD24689937
IUPAC Name:
2-methyl-1,3-benzothiazole-4,7-dione
InChI:
InChI=1S/C8H5NO2S/c1-4-9-7-5(10)2-3-6(11)8(7)12-4/h2-3H,1H3
InChI Key:
IVLRKZIPVIULOL-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)C(=O)C=CC2=O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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