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3-chloro-2'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

3-chloro-2'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

CAS: 1237083-91-8

Formula: C14H10ClNS

SMILES: CSC1=CC=CC=C1C1=CC=C(C#N)C(Cl)=C1

IUPAC: 3-chloro-2'-(methylsulfanyl)-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C14H10ClNS/c1-17-14-5-3-2-4-12(14)10-6-7-11(9-16)13(15)8-10/h2-8H,1H3

Composition: C (64.74%), H (3.88%), Cl (13.65%), N (5.39%), S (12.34%)

Molar Mass: 259.75

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.0222482
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IMTFSJOXTVBOKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.48
Topological Polar Surface Area 23.79
Polarizability 29.91
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1237083-91-8 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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