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89500-74-3 | 2H-1,4-Benzothiazin-8(5H)-one, 3,4,6,7-tetrahydro-3,6,6-trimethyl-
CAS No: 89500-74-3 Catalog No: AG0041W1 MDL No:
Product Description
Catalog Number:
AG0041W1
Chemical Name:
2H-1,4-Benzothiazin-8(5H)-one, 3,4,6,7-tetrahydro-3,6,6-trimethyl-
CAS Number:
89500-74-3
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
IUPAC Name:
3,6,6-trimethyl-3,4,5,7-tetrahydro-2H-1,4-benzothiazin-8-one
InChI:
InChI=1S/C11H17NOS/c1-7-6-14-10-8(12-7)4-11(2,3)5-9(10)13/h7,12H,4-6H2,1-3H3
InChI Key:
GBTPEVRFCIPASX-UHFFFAOYSA-N
SMILES:
CC1CSC2=C(N1)CC(CC2=O)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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