chempirical

2-Methylthiophene

C5H6SCAS 554-14-398.16 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C5H6S
Molar mass
98.16 g/mol
Exact mass
98.0190 Da
Density
1.0168 g/mL (at 20 °C)
Melting point
−63.4 °C
Boiling point
112.6 °C
logP
2.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
554-14-3
SMILES
Cc1cccs1
InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • Thiophene, 2-methyl-
  • α-Methylthiophene
  • 2-Thienylmethane

Work with 2-Methylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Bithiophene492-97-745 % similar 2-Methoxythiophene16839-97-740 % similar 2,5-Dimethylthiophene638-02-840 % similar 2-Ethylthiophene872-55-940 % similar 2-Bromothiophene1003-09-439 % similar Tris(2-thienyl)phosphine24171-89-939 % similar 2,2′-Dithiobis[thiophene]6911-51-939 % similar 2-Chlorothiophene96-43-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylthiophene616-44-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia