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51841-95-3 | 3(2H)-Pyridazinethione, 6-phenyl-
CAS No: 51841-95-3 Catalog No: AG00I9A1 MDL No:MFCD09039301
Product Description
Catalog Number:
AG00I9A1
Chemical Name:
3(2H)-Pyridazinethione, 6-phenyl-
CAS Number:
51841-95-3
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD09039301
IUPAC Name:
3-phenyl-1H-pyridazine-6-thione
InChI:
InChI=1S/C10H8N2S/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:
YMDKCNJGCMBUQC-UHFFFAOYSA-N
SMILES:
S=c1ccc(n[nH]1)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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