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318234-24-1 | 1-Methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-5-ol
CAS No: 318234-24-1 Catalog No: AG01FOIP MDL No:
Product Description
Catalog Number:
AG01FOIP
Chemical Name:
1-Methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-5-ol
CAS Number:
318234-24-1
IUPAC Name:
2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C11H12N2OS/c1-13-11(14)7-9(12-13)8-15-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3
InChI Key:
WIXFROLPJKVZHV-UHFFFAOYSA-N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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