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84263-22-9 | 2H-1,4-Benzothiazine, 3,4-dihydro-3,3-dimethyl-
CAS No: 84263-22-9 Catalog No: AG008INN MDL No:
Product Description
Catalog Number:
AG008INN
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-3,3-dimethyl-
CAS Number:
84263-22-9
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
IUPAC Name:
3,3-dimethyl-2,4-dihydro-1,4-benzothiazine
InChI:
InChI=1S/C10H13NS/c1-10(2)7-12-9-6-4-3-5-8(9)11-10/h3-6,11H,7H2,1-2H3
InChI Key:
RWYIKYWUOWLWHZ-UHFFFAOYSA-N
SMILES:
CC1(C)CSc2c(N1)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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