5-cyanothiophene-2-carboxylic acid

5-cyanothiophene-2-carboxylic acid

CAS: 59786-39-9

Formula: C6H3NO2S

SMILES: OC(=O)C1=CC=C(S1)C#N

IUPAC: 5-cyanothiophene-2-carboxylic acid

InChI: InChI=1S/C6H3NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9)

Composition: C (47.05%), H (1.97%), N (9.15%), O (20.89%), S (20.93%)

Molar Mass: 153.16

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.988449515
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KAPWVQLXFIZKGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.71
Topological Polar Surface Area	61.09
Polarizability	13.31
Ring Count	1
Rotatable Bond Count	1

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