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58959-99-2 | 2H-1,4-Benzothiazine, 3,4-dihydro-6-methyl-
CAS No: 58959-99-2 Catalog No: AG00IAH3 MDL No:MFCD20665580
Product Description
Catalog Number:
AG00IAH3
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-6-methyl-
CAS Number:
58959-99-2
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD20665580
IUPAC Name:
6-methyl-3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C9H11NS/c1-7-2-3-9-8(6-7)10-4-5-11-9/h2-3,6,10H,4-5H2,1H3
InChI Key:
NGAFATULOVAGQX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NCCS2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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