2-ethynylthiophene

2-ethynylthiophene

CAS: 4298-52-6

Formula: C6H4S

SMILES: C#CC1=CC=CS1

IUPAC: 2-ethynylthiophene

InChI: InChI=1S/C6H4S/c1-2-6-4-3-5-7-6/h1,3-5H

Composition: C (66.63%), H (3.73%), S (29.64%)

Molar Mass: 108.16

Atom Count: 11

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	108.003371303
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	LWISLHRIEATKTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.12
Topological Polar Surface Area	0
Polarizability	11.56
Ring Count	1
Rotatable Bond Count	0

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