2-Methylthiophene
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
Hazards
Danger
- H225 Highly Flammable liquid and vapor10.8% of notifiers
- H302 Harmful if swallowed94.6% of notifiers
- H312 Harmful in contact with skin94.4% of notifiers
- H332 Harmful if inhaled94.8% of notifiers
Aggregated from 1,456 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
554-14-3SMILES
Cc1cccs1InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-NInChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3Weigh 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-Thiophenethiol7774-74-541 % similar
2-Methoxythiophene16839-97-740 % similar
2-Thienyltrimethylsilane18245-28-840 % similar
2-(Methylthio)thiophene5780-36-940 % similar
2,5-Dimethylthiophene638-02-840 % similar
2-Ethylthiophene872-55-940 % similar
2-Bromothiophene1003-09-439 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.