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3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

Formula: C9H9N3S2

SMILES: NC1=NC(SCC2=CC=CC=C2)=NS1

IUPAC: 3-(benzylsulfanyl)-1,2,4-thiadiazol-5-amine

InChI: InChI=1S/C9H9N3S2/c10-8-11-9(12-14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)

Composition: C (48.41%), H (4.06%), N (18.82%), S (28.71%)

Molar Mass: 223.31

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.02378965
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UOIUWIYFNWLYPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.62
Topological Polar Surface Area 51.8
Polarizability 22.9
Ring Count 2
Rotatable Bond Count 3

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