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89500-73-2 | 2H-1,4-Benzothiazin-8(5H)-one, 3,4,6,7-tetrahydro-6,6-dimethyl-
CAS No: 89500-73-2 Catalog No: AG0087QV MDL No:
Product Description
Catalog Number:
AG0087QV
Chemical Name:
2H-1,4-Benzothiazin-8(5H)-one, 3,4,6,7-tetrahydro-6,6-dimethyl-
CAS Number:
89500-73-2
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
IUPAC Name:
6,6-dimethyl-3,4,5,7-tetrahydro-2H-1,4-benzothiazin-8-one
InChI:
InChI=1S/C10H15NOS/c1-10(2)5-7-9(8(12)6-10)13-4-3-11-7/h11H,3-6H2,1-2H3
InChI Key:
YDOFFHXVJSWLLU-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1SCCN2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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