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16192-33-9 | Benzothiazole, 2,3-dihydro-3-methyl-2-phenyl- (9CI)
CAS No: 16192-33-9 Catalog No: AG00ALKI MDL No:
Product Description
Catalog Number:
AG00ALKI
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2-phenyl- (9CI)
CAS Number:
16192-33-9
IUPAC Name:
3-methyl-2-phenyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C14H13NS/c1-15-12-9-5-6-10-13(12)16-14(15)11-7-3-2-4-8-11/h2-10,14H,1H3
InChI Key:
KZRWYPLMYWSJFP-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.325g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Primary kinetic isotope effects on hydride transfer from heterocyclic compounds to NAD(+) analogues. | The journal of physical chemistry. A 20091008 |
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