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138537-79-8 | 5-Oxazolethiol, 4-[(4-methylphenyl)sulfonyl]-2-phenyl-
CAS No: 138537-79-8 Catalog No: AG0019EY MDL No:
Product Description
Catalog Number:
AG0019EY
Chemical Name:
5-Oxazolethiol, 4-[(4-methylphenyl)sulfonyl]-2-phenyl-
CAS Number:
138537-79-8
Molecular Formula:
C16H13NO3S2
Molecular Weight:
331.4093
IUPAC Name:
4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazole-5-thiol
InChI:
InChI=1S/C16H13NO3S2/c1-11-7-9-13(10-8-11)22(18,19)15-16(21)20-14(17-15)12-5-3-2-4-6-12/h2-10,21H,1H3
InChI Key:
JWRFPOHFBMCSCX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1nc(oc1S)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.404g/mol
Monoisotopic Mass:
331.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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