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378219-94-4

378219-94-4 | 6-(4-isopropylphenyl)-2-phenylpyridazine-3(2H)-thione

CAS No: 378219-94-4 Catalog No: AG00JHB1 MDL No:MFCD02985634

Product Description

Catalog Number:
AG00JHB1
Chemical Name:
6-(4-isopropylphenyl)-2-phenylpyridazine-3(2H)-thione
CAS Number:
378219-94-4
Molecular Formula:
C19H18N2S
Molecular Weight:
306.4246
MDL Number:
MFCD02985634
IUPAC Name:
2-phenyl-6-(4-propan-2-ylphenyl)pyridazine-3-thione
InChI:
InChI=1S/C19H18N2S/c1-14(2)15-8-10-16(11-9-15)18-12-13-19(22)21(20-18)17-6-4-3-5-7-17/h3-14H,1-2H3
InChI Key:
UQQQRPJEZWORCH-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1ccc(=S)n(n1)c1ccccc1)C

Properties

Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.119g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.427g/mol
Monoisotopic Mass:
306.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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