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5243-91-4 | Thiazole,4,5-dihydro-4,5-dimethyl-2-phenyl-, trans- (9CI)
CAS No: 5243-91-4 Catalog No: AG006U7P MDL No:
Product Description
Catalog Number:
AG006U7P
Chemical Name:
Thiazole,4,5-dihydro-4,5-dimethyl-2-phenyl-, trans- (9CI)
CAS Number:
5243-91-4
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
IUPAC Name:
4,5-dimethyl-2-phenyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C11H13NS/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
DQSPCLCGGPBWGP-UHFFFAOYSA-N
SMILES:
CC1N=C(SC1C)c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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