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155555-22-9 | Pyrimidine, 4-[2-(2-thienyl)ethenyl]-
CAS No: 155555-22-9 Catalog No: AG001O05 MDL No:
Product Description
Catalog Number:
AG001O05
Chemical Name:
Pyrimidine, 4-[2-(2-thienyl)ethenyl]-
CAS Number:
155555-22-9
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
IUPAC Name:
4-(2-thiophen-2-ylethenyl)pyrimidine
InChI:
InChI=1S/C10H8N2S/c1-2-10(13-7-1)4-3-9-5-6-11-8-12-9/h1-8H
InChI Key:
GLRINWXCZQAYBQ-UHFFFAOYSA-N
SMILES:
n1ccc(nc1)C=Cc1cccs1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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