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303996-54-5 | 3-[(4-chlorobenzyl)sulfanyl]-5-methyl-4-isothiazolecarboxamide
CAS No: 303996-54-5 Catalog No: AG01FOLO MDL No:
Product Description
Catalog Number:
AG01FOLO
Chemical Name:
3-[(4-chlorobenzyl)sulfanyl]-5-methyl-4-isothiazolecarboxamide
CAS Number:
303996-54-5
IUPAC Name:
3-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C12H11ClN2OS2/c1-7-10(11(14)16)12(15-18-7)17-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,14,16)
InChI Key:
ZDMCMTLZTSDEIJ-UHFFFAOYSA-N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.803g/mol
Monoisotopic Mass:
298g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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