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Home > Thiazole > 1245004-58-3
1245004-58-3 | 5-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
CAS No: 1245004-58-3 Catalog No: AG01DV39 MDL No:MFCD17212172
Product Description
Catalog Number:
AG01DV39
Chemical Name:
5-METHOXY-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
CAS Number:
1245004-58-3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD17212172
IUPAC Name:
5-methoxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO2S/c1-12-6-3-2-4-7-9(6)10-8(11)5-13-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
VNQNDJCJXFTIEV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(=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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