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thiophene-3,4-dicarbonitrile

thiophene-3,4-dicarbonitrile

CAS: 18853-32-2

Formula: C6H2N2S

SMILES: N#CC1=CSC=C1C#N

IUPAC: thiophene-3,4-dicarbonitrile

InChI: InChI=1S/C6H2N2S/c7-1-5-3-9-4-6(5)2-8/h3-4H

Composition: C (53.72%), H (1.50%), N (20.88%), S (23.90%)

Molar Mass: 134.16

Atom Count: 11

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 133.993869246
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JSLBLMYJYPZTEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.61
Topological Polar Surface Area 47.58
Polarizability 12.69
Ring Count 1
Rotatable Bond Count 0

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