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956721-96-3 | 4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine
CAS No: 956721-96-3 Catalog No: AG00IJBQ MDL No:
Product Description
Catalog Number:
AG00IJBQ
Chemical Name:
4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine
CAS Number:
956721-96-3
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
InChI:
InChI=1S/C8H7N3OS/c1-13-8-9-3-2-7(11-8)6-4-10-12-5-6/h2-5H,1H3
InChI Key:
VXQCJTIAOFAILS-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)c1conc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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