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174006-79-2 | 4-Thiazolecarbothioamide, 2-(4-methylphenyl)-
CAS No: 174006-79-2 Catalog No: AG001ZDL MDL No:
Product Description
Catalog Number:
AG001ZDL
Chemical Name:
4-Thiazolecarbothioamide, 2-(4-methylphenyl)-
CAS Number:
174006-79-2
Molecular Formula:
C11H10N2S2
Molecular Weight:
234.3405
IUPAC Name:
2-(4-methylphenyl)-1,3-thiazole-4-carbothioamide
InChI:
InChI=1S/C11H10N2S2/c1-7-2-4-8(5-3-7)11-13-9(6-15-11)10(12)14/h2-6H,1H3,(H2,12,14)
InChI Key:
UAJBIDGUYUWMOL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1scc(n1)C(=S)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:
234.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.335g/mol
Monoisotopic Mass:
234.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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