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5-(thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile

5-(thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile

CAS: 50710-07-1

Formula: C7H4N4S

SMILES: N#CC1=NNN=C1C1=CC=CS1

IUPAC: 5-(thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile

InChI: InChI=1S/C7H4N4S/c8-4-5-7(10-11-9-5)6-2-1-3-12-6/h1-3H,(H,9,10,11)

Composition: C (47.72%), H (2.29%), N (31.80%), S (18.20%)

Molar Mass: 176.2

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.015667319
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DOHBNOZATOTTPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.68
Topological Polar Surface Area 65.36
Polarizability 17.72
Ring Count 2
Rotatable Bond Count 1

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90% <2 Days 50710-07-1 $51.35-$86.31$51.35$63.37$86.31
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