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681286-58-8 | 6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
CAS No: 681286-58-8 Catalog No: AG00M6U6 MDL No:MFCD17212170
Product Description
Catalog Number:
AG00M6U6
Chemical Name:
6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
CAS Number:
681286-58-8
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD17212170
IUPAC Name:
6-methyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NOS/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
ICGCQATWKXCDDJ-UHFFFAOYSA-N
SMILES:
Cc1cc2NC(=O)CSc2cc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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