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87012-20-2 | 2H-1,4-Benzothiazine, 3,4-dihydro-3-methyl-
CAS No: 87012-20-2 Catalog No: AG00IEBF MDL No:MFCD20230546
Product Description
Catalog Number:
AG00IEBF
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-3-methyl-
CAS Number:
87012-20-2
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD20230546
IUPAC Name:
3-methyl-3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChI Key:
OFUZAVQYAIEYET-UHFFFAOYSA-N
SMILES:
CC1CSc2c(N1)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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