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318248-79-2 | 2-phenyl-5-[1-(thiophene-2-sulfonyl)-1H-pyrazol-3-yl]-1,3-thiazole
CAS No: 318248-79-2 Catalog No: AG00IQ3B MDL No:MFCD00974316
Product Description
Catalog Number:
AG00IQ3B
Chemical Name:
2-phenyl-5-[1-(thiophene-2-sulfonyl)-1H-pyrazol-3-yl]-1,3-thiazole
CAS Number:
318248-79-2
Molecular Formula:
C16H11N3O2S3
Molecular Weight:
373.4724
MDL Number:
MFCD00974316
IUPAC Name:
2-phenyl-5-(1-thiophen-2-ylsulfonylpyrazol-3-yl)-1,3-thiazole
InChI:
InChI=1S/C16H11N3O2S3/c20-24(21,15-7-4-10-22-15)19-9-8-13(18-19)14-11-17-16(23-14)12-5-2-1-3-6-12/h1-11H
InChI Key:
GYFXDYOXGREKFR-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc(n1)c1cnc(s1)c1ccccc1)c1cccs1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.001g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.463g/mol
Monoisotopic Mass:
373.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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