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651305-71-4 | 4-Isothiazolecarboxamide, 3-(cyclohexylmethoxy)-5-(methylsulfonyl)-
CAS No: 651305-71-4 Catalog No: AG006RRE MDL No:
Product Description
Catalog Number:
AG006RRE
Chemical Name:
4-Isothiazolecarboxamide, 3-(cyclohexylmethoxy)-5-(methylsulfonyl)-
CAS Number:
651305-71-4
Molecular Formula:
C12H18N2O4S2
Molecular Weight:
318.4123
IUPAC Name:
3-(cyclohexylmethoxy)-5-methylsulfonyl-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C12H18N2O4S2/c1-20(16,17)12-9(10(13)15)11(14-19-12)18-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,13,15)
InChI Key:
XAJLVUBHDNACBF-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(OCC2CCCCC2)nsc1S(=O)(=O)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.406g/mol
Monoisotopic Mass:
318.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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