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(2Z)-3-{5-[(4-chlorophenyl)sulfanyl]thiophen-2-yl}-2-phenylprop-2-enenitrile

(2Z)-3-{5-[(4-chlorophenyl)sulfanyl]thiophen-2-yl}-2-phenylprop-2-enenitrile

Formula: C19H12ClNS2

SMILES: ClC1=CC=C(SC2=CC=C(S2)C=C(/C#N)C2=CC=CC=C2)C=C1

IUPAC: (2Z)-3-{5-[(4-chlorophenyl)sulfanyl]thiophen-2-yl}-2-phenylprop-2-enenitrile

InChI: InChI=1S/C19H12ClNS2/c20-16-6-8-17(9-7-16)22-19-11-10-18(23-19)12-15(13-21)14-4-2-1-3-5-14/h1-12H/b15-12+

Composition: C (64.49%), H (3.42%), Cl (10.02%), N (3.96%), S (18.12%)

Molar Mass: 353.88

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 353.0099694
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OBIRDEQYBITKKP-NTCAYCPXSA-N
Lipinski's Rule of Five
Molar Refractivity 100.03
Topological Polar Surface Area 23.79
Polarizability 38.19
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H12ClNS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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