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114234-23-0 | 5(4H)-Thiazolethione, 4-methyl-2-phenyl-4-(phenylmethyl)-
CAS No: 114234-23-0 Catalog No: AG000AVW MDL No:
Product Description
Catalog Number:
AG000AVW
Chemical Name:
5(4H)-Thiazolethione, 4-methyl-2-phenyl-4-(phenylmethyl)-
CAS Number:
114234-23-0
Molecular Formula:
C17H15NS2
Molecular Weight:
297.4377
IUPAC Name:
4-benzyl-4-methyl-2-phenyl-1,3-thiazole-5-thione
InChI:
InChI=1S/C17H15NS2/c1-17(12-13-8-4-2-5-9-13)16(19)20-15(18-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChI Key:
CPVXRGIHUWPLRG-UHFFFAOYSA-N
SMILES:
S=C1SC(=NC1(C)Cc1ccccc1)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.434g/mol
Monoisotopic Mass:
297.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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