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71823-14-8 | 6-(2,5-dimethylphenyl)pyridazine-3-thiol
CAS No: 71823-14-8 Catalog No: AG018BLY MDL No:MFCD16309456
Product Description
Catalog Number:
AG018BLY
Chemical Name:
6-(2,5-dimethylphenyl)pyridazine-3-thiol
CAS Number:
71823-14-8
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD16309456
IUPAC Name:
3-(2,5-dimethylphenyl)-1H-pyridazine-6-thione
InChI:
InChI=1S/C12H12N2S/c1-8-3-4-9(2)10(7-8)11-5-6-12(15)14-13-11/h3-7H,1-2H3,(H,14,15)
InChI Key:
FNXSGMWKMRVZEH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)c1ccc(nn1)S)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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