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81837-94-7 | 5(4H)-Thiazolethione, 4,4-dimethyl-2-phenyl-
CAS No: 81837-94-7 Catalog No: AG0056PV MDL No:
Product Description
Catalog Number:
AG0056PV
Chemical Name:
5(4H)-Thiazolethione, 4,4-dimethyl-2-phenyl-
CAS Number:
81837-94-7
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
IUPAC Name:
4,4-dimethyl-2-phenyl-1,3-thiazole-5-thione
InChI:
InChI=1S/C11H11NS2/c1-11(2)10(13)14-9(12-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
DEOGZNVFGOAPJB-UHFFFAOYSA-N
SMILES:
S=C1SC(=NC1(C)C)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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