2-Hexylthiophene

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Catalog Number
ACM18794779
Product Name
2-Hexylthiophene
Structure
Structure
CAS
18794-77-9
Category
Thiophenes
Description
Colourless to pale yellow liquid; Meat-like aroma
Synonyms
Thiophene, 2-hexyl-;2-n-Hexylthiophene
IUPAC Name
2-hexylthiophene
Molecular Weight
168.3g/mol
Molecular Formula
C10H16S
Canonical SMILES
CCCCCCC1=CC=CS1
InChI
InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
InChI Key
QZVHYFUVMQIGGM-UHFFFAOYSA-N
Boiling Point
92 °C/10mmHg(lit.)
Flash Point
100°C(lit.)
Density
0.930-0.938 (20?°)
Solubility
Soluble in most organic solvents; Insoluble in water;Soluble (in ethanol)
Appearance
Colourless Liquid
Complexity
90.9
Covalently-Bonded Unit Count
1
EC Number
242-579-4
Exact Mass
168.097272g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
11
Monoisotopic Mass
168.097272g/mol
Refractive Index
1.492-1.498
Rotatable Bond Count
5
UNII
82479467Q1
XLogP3
4.4
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