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138915-00-1 | Thiazole, 2-(methylthio)-5-phenyl-4-(2-thienyl)-
CAS No: 138915-00-1 Catalog No: AG0019U2 MDL No:
Product Description
Catalog Number:
AG0019U2
Chemical Name:
Thiazole, 2-(methylthio)-5-phenyl-4-(2-thienyl)-
CAS Number:
138915-00-1
Molecular Formula:
C14H11NS3
Molecular Weight:
289.4388
IUPAC Name:
2-methylsulfanyl-5-phenyl-4-thiophen-2-yl-1,3-thiazole
InChI:
InChI=1S/C14H11NS3/c1-16-14-15-12(11-8-5-9-17-11)13(18-14)10-6-3-2-4-7-10/h2-9H,1H3
InChI Key:
GARZNNQKNJSDKH-UHFFFAOYSA-N
SMILES:
CSc1sc(c(n1)c1cccs1)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.429g/mol
Monoisotopic Mass:
289.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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