2-Methylthiophene

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Catalog Number
ACM554143
Product Name
2-Methylthiophene
Structure
Structure
CAS
554-14-3
Category
Thiophenes
Description
Liquid;Liquid
Synonyms
Thiophene, 2-methyl-; alpha-Methylthiophene
IUPAC Name
2-methylthiophene
Molecular Weight
98.17g/mol
Molecular Formula
C5H6S
Canonical SMILES
CC1=CC=CS1
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChI Key
XQQBUAPQHNYYRS-UHFFFAOYSA-N
Boiling Point
112.6 °C
Melting Point
-63.4 °C;-63.4 °C;-63.4°C
Flash Point
7.2°C
Density
d20 1.02
Complexity
43.2
Covalently-Bonded Unit Count
1
EC Number
209-063-0
Exact Mass
98.019021g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
6
LogP
2.33 (LogP);2.33;2.33
Monoisotopic Mass
98.019021g/mol
Refractive Index
n20D 1.5203
Rotatable Bond Count
0
UNII
7115JAP77A
Vapor Pressure
24.89 mmHg
XLogP3
2.3
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