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5-(3-methylphenyl)-5H-1,3,4-oxadiazole-2-thione

5-(3-methylphenyl)-5H-1,3,4-oxadiazole-2-thione

CAS: 66147-19-1

Formula: C9H8N2OS

SMILES: CC1=CC(=CC=C1)C1OC(=S)N=N1

IUPAC: 5-(3-methylphenyl)-2,5-dihydro-1,3,4-oxadiazole-2-thione

InChI: InChI=1/C9H8N2OS/c1-6-3-2-4-7(5-6)8-10-11-9(13)12-8/h2-5,8H,1H3

Composition: C (56.23%), H (4.19%), N (14.57%), O (8.32%), S (16.68%)

Molar Mass: 192.24

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 192.03573406
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LULHKXFQBBVGFU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.3
Topological Polar Surface Area 33.95
Polarizability 20.9
Ring Count 2
Rotatable Bond Count 1

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Life Chemicals USA, Inc.
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 66147-19-1 $81.18-$906.84$81.18$132.66$215.82$431.64$647.46$906.84
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