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4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazole

4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazole

CAS: 263869-31-4

Formula: C10H9ClN2S

SMILES: CC1=NNC=C1SC1=CC=C(Cl)C=C1

IUPAC: 4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazole

InChI: InChI=1S/C10H9ClN2S/c1-7-10(6-12-13-7)14-9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)

Composition: C (53.45%), H (4.04%), Cl (15.78%), N (12.47%), S (14.27%)

Molar Mass: 224.71

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.0174972
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HWINYNVUZFSNGF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.83
Topological Polar Surface Area 28.68
Polarizability 23.4
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 263869-31-4 $51.35-$86.31$51.35$63.37$86.31
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