2-Ethynylthiophene

CAT: 0024-sc-259812ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259812ASize:1 g

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CAS Number

4298-52-6

Chemical Information

2-Ethynylthiophene

2-Ethynylthiophene is a heteroarene.

CAS Number	4298-52-6
PubChem CID	5246258
IUPAC Name	2-ethynylthiophene
Molecular Formula	C6H4S
Molecular Weight	108.16
XLogP	1.9
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	98

SMILES

C#CC1=CC=CS1

InChI

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

InChIKey

LWISLHRIEATKTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4298-52-6

CID: 5246258

Formula: C6H4S

MW: 108.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.16
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	108.00337130
Monoisotopic Mass	108.00337130
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	98
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-231691	3-Ethynylthiophene
sc-230295	2-Ethylthiophene
sc-318705	5-Ethylthiophene-2-carbohydrazide
sc-479768	2-Amino-3- (2-chlorobenzoyl) -5-ethylthiophene
sc-350975	5-ethylthiophene-2-sulfonyl chloride
sc-336872	5-ethylthiophene-2-carbonyl chloride
sc-278195	5-ethylthiophene-2-carboxylic acid
sc-275064	2-n-Butyl-5-ethylthiophene
sc-350975A	5-ethylthiophene-2-sulfonyl chloride
sc-341265	2-amino-5-ethylthiophene-3-carbonitrile

Catalog	Name
E7660-01	2-Ethynylthiophene
OR51798-01	2-Bromo-5-ethynylthiophene
KNA15774-01	3-Bromo-2-ethynylthiophene
HSB67000-01	2-Ethyl-5-ethynylthiophene
OR1100222-01	4-Chloro-2-ethynylthiophene
OR88461-01	3-Ethynylthiophene-2-carbaldehyde
QCB26687-01	4-Bromo-2-ethynylthiophene
PFA95782-01	2-Chloro-5-ethynylthiophene
OR76516-01	5-Ethynylthiophene-2-carbaldehyde
OR40642-01	3-Ethynylthiophene