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5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

Formula: C9H8ClN3S2

SMILES: NC1=NN=C(SCC2=CC(Cl)=CC=C2)S1

IUPAC: 5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine

InChI: InChI=1S/C9H8ClN3S2/c10-7-3-1-2-6(4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)

Composition: C (41.94%), H (3.13%), Cl (13.75%), N (16.30%), S (24.88%)

Molar Mass: 257.75

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.9848173
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HXVVRQRCDWXTEJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.26
Topological Polar Surface Area 51.8
Polarizability 24.8
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H8ClN3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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