5-methylthiophene-3-carbaldehyde

5-methylthiophene-3-carbaldehyde

CAS: 29421-72-5

Formula: C6H6OS

SMILES: CC1=CC(C=O)=CS1

IUPAC: 5-methylthiophene-3-carbaldehyde

InChI: InChI=1S/C6H6OS/c1-5-2-6(3-7)4-8-5/h2-4H,1H3

Composition: C (57.12%), H (4.79%), O (12.68%), S (25.41%)

Molar Mass: 126.17

Atom Count: 14

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	126.013935987
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XITNVIKTFZONKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.8
Topological Polar Surface Area	17.07
Polarizability	12.66
Ring Count	1
Rotatable Bond Count	1

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