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5-methanesulfinyl-4-phenyl-1,2,3-thiadiazole

5-methanesulfinyl-4-phenyl-1,2,3-thiadiazole

CAS: 477711-27-6

Formula: C9H8N2OS2

SMILES: CS(=O)C1=C(N=NS1)C1=CC=CC=C1

IUPAC: 5-methanesulfinyl-4-phenyl-1,2,3-thiadiazole

InChI: InChI=1/C9H8N2OS2/c1-14(12)9-8(10-11-13-9)7-5-3-2-4-6-7/h2-6H,1H3

Composition: C (48.19%), H (3.60%), N (12.49%), O (7.13%), S (28.59%)

Molar Mass: 224.3

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 224.007805234
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BDRICPCEDPKWPB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.64
Topological Polar Surface Area 42.85
Polarizability 23.66
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477711-27-6 $51.35-$86.31$51.35$63.37$86.31
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