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117420-83-4 | 4-Thiazolamine, 5-[(4-methylphenyl)sulfonyl]-2-(2-propen-1-ylthio)-
CAS No: 117420-83-4 Catalog No: AG000EAO MDL No:
Product Description
Catalog Number:
AG000EAO
Chemical Name:
4-Thiazolamine, 5-[(4-methylphenyl)sulfonyl]-2-(2-propen-1-ylthio)-
CAS Number:
117420-83-4
Molecular Formula:
C13H14N2O2S3
Molecular Weight:
326.4575
IUPAC Name:
5-(4-methylphenyl)sulfonyl-2-prop-2-enylsulfanyl-1,3-thiazol-4-amine
InChI:
InChI=1S/C13H14N2O2S3/c1-3-8-18-13-15-11(14)12(19-13)20(16,17)10-6-4-9(2)5-7-10/h3-7H,1,8,14H2,2H3
InChI Key:
HEGUKODPKWDREC-UHFFFAOYSA-N
SMILES:
C=CCSc1nc(c(s1)S(=O)(=O)c1ccc(cc1)C)N
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.447g/mol
Monoisotopic Mass:
326.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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