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99286-44-9 | 2H-1,4-Benzothiazin-3(4H)-one, 6-methoxy-
CAS No: 99286-44-9 Catalog No: AG00IK97 MDL No:MFCD17212483
Product Description
Catalog Number:
AG00IK97
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 6-methoxy-
CAS Number:
99286-44-9
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD17212483
IUPAC Name:
6-methoxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO2S/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
BHBDNZLTNMQLQX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)NC(=O)CS2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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