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134470-66-9 | 2H-3,1-Benzothiazin-2-one, 1,4-dihydro-4-methylene-
CAS No: 134470-66-9 Catalog No: AG0070HR MDL No:
Product Description
Catalog Number:
AG0070HR
Chemical Name:
2H-3,1-Benzothiazin-2-one, 1,4-dihydro-4-methylene-
CAS Number:
134470-66-9
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
IUPAC Name:
4-methylidene-1H-3,1-benzothiazin-2-one
InChI:
InChI=1S/C9H7NOS/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h2-5H,1H2,(H,10,11)
InChI Key:
BNOSDMJAKUBWAN-UHFFFAOYSA-N
SMILES:
O=c1sc(=C)c2c([nH]1)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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