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87976-00-9 | 2-(pyriMidin-4-yl)thiazole
CAS No: 87976-00-9 Catalog No: AG00H12K MDL No:MFCD01646168
Product Description
Catalog Number:
AG00H12K
Chemical Name:
2-(pyriMidin-4-yl)thiazole
CAS Number:
87976-00-9
Molecular Formula:
C7H5N3S
Molecular Weight:
163.1997
MDL Number:
MFCD01646168
IUPAC Name:
2-pyrimidin-4-yl-1,3-thiazole
InChI:
InChI=1S/C7H5N3S/c1-2-8-5-10-6(1)7-9-3-4-11-7/h1-5H
InChI Key:
RZFZKQGEQZUQKS-UHFFFAOYSA-N
SMILES:
n1ccc(nc1)c1nccs1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.198g/mol
Monoisotopic Mass:
163.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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