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3-chloro-5-[(4-chlorophenyl)methanesulfinyl]-1,2,4-thiadiazole

3-chloro-5-[(4-chlorophenyl)methanesulfinyl]-1,2,4-thiadiazole

CAS: 486997-65-3

Formula: C9H6Cl2N2OS2

SMILES: ClC1=NSC(=N1)S(=O)CC1=CC=C(Cl)C=C1

IUPAC: 3-chloro-5-[(4-chlorophenyl)methanesulfinyl]-1,2,4-thiadiazole

InChI: InChI=1/C9H6Cl2N2OS2/c10-7-3-1-6(2-4-7)5-16(14)9-12-8(11)13-15-9/h1-4H,5H2

Composition: C (36.87%), H (2.06%), Cl (24.18%), N (9.56%), O (5.46%), S (21.87%)

Molar Mass: 293.18

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 291.9298606
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XAJVMKMHAQNRGO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.8
Topological Polar Surface Area 42.85
Polarizability 26.33
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 486997-65-3 $16,380.00-$9,450.00$2,640.00$9,450.00$16,380.00
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