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110076-39-6 | 2(3H)-Thiazolethione, 3-methyl-4-(3-methylphenyl)-
CAS No: 110076-39-6 Catalog No: AG0084C9 MDL No:
Product Description
Catalog Number:
AG0084C9
Chemical Name:
2(3H)-Thiazolethione, 3-methyl-4-(3-methylphenyl)-
CAS Number:
110076-39-6
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
IUPAC Name:
3-methyl-4-(3-methylphenyl)-1,3-thiazole-2-thione
InChI:
InChI=1S/C11H11NS2/c1-8-4-3-5-9(6-8)10-7-14-11(13)12(10)2/h3-7H,1-2H3
InChI Key:
OXWFGAWTJLTISC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1csc(=S)n1C
Properties
Complexity:
273
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:
2
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:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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