1-benzothiophene-2-carbaldehyde

1-benzothiophene-2-carbaldehyde

CAS: 3541-37-5

Formula: C9H6OS

SMILES: O=CC1=CC2=CC=CC=C2S1

IUPAC: 1-benzothiophene-2-carbaldehyde

InChI: InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H

Composition: C (66.64%), H (3.73%), O (9.86%), S (19.76%)

Molar Mass: 162.21

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	162.013935987
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NXSVNPSWARVMAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.77
Topological Polar Surface Area	17.07
Polarizability	18.42
Ring Count	2
Rotatable Bond Count	1

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