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157950-94-2 | 2H-1,4-Benzothiazine-6,7-dione, 3,4-dihydro-
CAS No: 157950-94-2 Catalog No: AG001PVD MDL No:MFCD11983071
Product Description
Catalog Number:
AG001PVD
Chemical Name:
2H-1,4-Benzothiazine-6,7-dione, 3,4-dihydro-
CAS Number:
157950-94-2
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD11983071
IUPAC Name:
3,4-dihydro-2H-1,4-benzothiazine-6,7-dione
InChI:
InChI=1S/C8H7NO2S/c10-6-3-5-8(4-7(6)11)12-2-1-9-5/h3-4,9H,1-2H2
InChI Key:
YKQBOVAOIFUWMI-UHFFFAOYSA-N
SMILES:
O=C1C=C2SCCNC2=CC1=O
Properties
Complexity:
317
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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