4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

CAS: 29179-41-7

Formula: C13H10O2S

SMILES: OC(=O)C1=CC2=C(S1)C1=C(CC2)C=CC=C1

IUPAC: 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

InChI: InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)

Composition: C (67.81%), H (4.38%), O (13.90%), S (13.92%)

Molar Mass: 230.28

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.040150736
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IGBRCZHGFVMFCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.4
Topological Polar Surface Area	37.3
Polarizability	25.07
Ring Count	3
Rotatable Bond Count	1

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