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3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile

3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile

CAS: 338778-06-6

Formula: C12H8Cl2N2S2

SMILES: CC1=C(C#N)C(SCC2=C(Cl)C=CC=C2Cl)=NS1

IUPAC: 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C12H8Cl2N2S2/c1-7-8(5-15)12(16-18-7)17-6-9-10(13)3-2-4-11(9)14/h2-4H,6H2,1H3

Composition: C (45.72%), H (2.56%), Cl (22.49%), N (8.89%), S (20.34%)

Molar Mass: 315.23

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.950596
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FAKJCKGHGDTJMS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 80.12
Topological Polar Surface Area 36.68
Polarizability 30.02
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338778-06-6 $51.35-$86.31$51.35$63.37$86.31
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