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70555-52-1 | 1H-2,1-Benzothiazine, 3,4-dihydro-6,8-dimethyl-, 2,2-dioxide
CAS No: 70555-52-1 Catalog No: AG00677H MDL No:
Product Description
Catalog Number:
AG00677H
Chemical Name:
1H-2,1-Benzothiazine, 3,4-dihydro-6,8-dimethyl-, 2,2-dioxide
CAS Number:
70555-52-1
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
6,8-dimethyl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
InChI:
InChI=1S/C10H13NO2S/c1-7-5-8(2)10-9(6-7)3-4-14(12,13)11-10/h5-6,11H,3-4H2,1-2H3
InChI Key:
KKIOIUVGQBMWMF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)CCS(=O)(=O)N2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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