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30194-74-2 | 1-methyl-3H-1lambda6,2-benzothiazole-1,3-dione
CAS No: 30194-74-2 Catalog No: AG01EIQE MDL No:MFCD31617345
Product Description
Catalog Number:
AG01EIQE
Chemical Name:
1-methyl-3H-1lambda6,2-benzothiazole-1,3-dione
CAS Number:
30194-74-2
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD31617345
IUPAC Name:
1-methyl-1-oxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NO2S/c1-12(11)7-5-3-2-4-6(7)8(10)9-12/h2-5H,1H3
InChI Key:
LTSVPCMQQNVWSD-UHFFFAOYSA-N
SMILES:
O=C1N=S(=O)(c2c1cccc2)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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