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850238-91-4 | "5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-thiol"
CAS No: 850238-91-4 Catalog No: AG01FMSN MDL No:MFCD05691789
Product Description
Catalog Number:
AG01FMSN
Chemical Name:
"5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-thiol"
CAS Number:
850238-91-4
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
MDL Number:
MFCD05691789
IUPAC Name:
5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
InChI:
InChI=1S/C13H11N3S/c1-9-7-12(17)16-13(15-9)11(8-14-16)10-5-3-2-4-6-10/h2-8,14H,1H3
InChI Key:
WWSYXEOFGHJWOL-UHFFFAOYSA-N
SMILES:
Cc1cc(S)n2c(n1)c(cn2)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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