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3192-06-1 | 3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2-dione
CAS No: 3192-06-1 Catalog No: AG01BNQD MDL No:MFCD27949296
Product Description
Catalog Number:
AG01BNQD
Chemical Name:
3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2-dione
CAS Number:
3192-06-1
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD27949296
IUPAC Name:
3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
InChI:
InChI=1S/C8H9NO2S/c10-12(11)6-5-7-3-1-2-4-8(7)9-12/h1-4,9H,5-6H2
InChI Key:
SFUUSVZJOLXBIB-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCc2c(N1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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