3-methyl-1-benzothiophene-2-carbaldehyde

3-methyl-1-benzothiophene-2-carbaldehyde

CAS: 22053-74-3

Formula: C10H8OS

SMILES: CC1=C(SC2=CC=CC=C12)C=O

IUPAC: 3-methyl-1-benzothiophene-2-carbaldehyde

InChI: InChI=1S/C10H8OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3

Composition: C (68.15%), H (4.58%), O (9.08%), S (18.19%)

Molar Mass: 176.23

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.029586052
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DRZGHNXLEQHVHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.81
Topological Polar Surface Area	17.07
Polarizability	20.18
Ring Count	2
Rotatable Bond Count	1

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