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34989-82-7 | 3-methyl-1,2-benzothiazole-1,1-dione
CAS No: 34989-82-7 Catalog No: AG01AKPN MDL No:MFCD20233543
Product Description
Catalog Number:
AG01AKPN
Chemical Name:
3-methyl-1,2-benzothiazole-1,1-dione
CAS Number:
34989-82-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD20233543
IUPAC Name:
3-methyl-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C8H7NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-5H,1H3
InChI Key:
KBNUKJSZKJGXGU-UHFFFAOYSA-N
SMILES:
CC1=NS(=O)(=O)c2c1cccc2
EC Number:
812-907-6
Properties
Complexity:
312
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:
3
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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