Methanethiol
Properties
- Molecular formula
- CH4S
- Molar mass
- 48.10 g/mol
- Exact mass
- 48.0034 Da
- Density
- 0.96 g/mL (at 25 °C)
- Melting point
- −123 °C
- Boiling point
- 5.95 °C
- Critical temperature
- 196.9 °C (470.0 K)ChemSep
- Critical pressure
- 72.3 barChemSep
- Acentric factor
- 0.150ChemSep
- Enthalpy of formation (gas)
- −22.60 kJ/molChemSep
- pKa
- 10.33 (25 °C)
- Flash point
- -17.8 °C (open cup)
- Water solubility
- 15.4 g/L (25 °C)
- logP
- 0.55Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H220 Extremely flammable gasFlammable gases
- H331 Toxic if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 016-021-00-3), via PubChem.
Precautionary statements
P203, P210, P222, P261, P271, P273, P280, P304+P340, P316, P321, P377, P381, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
74-93-1SMILES
CSInChIKey
LSDPWZHWYPCBBB-UHFFFAOYSA-NInChI
InChI=1S/CH4S/c1-2/h2H,1H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.05 (d, J = 7.5 Hz, 3H), 1.35 (q, J = 7.5 Hz, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 8.3.[M + H]+
[M + H]+ Calcd for CH5S 49.0106[M + Na]+
[M + Na]+ Calcd for CH4NaS 70.9926[M − H]−
[M − H]− Calcd for CH3S 46.9961Elemental analysis
Anal. Calcd for CH4S: C, 24.97; H, 8.38; S, 66.65.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Mercaptomethane
- Methyl mercaptan
Work with Methanethiol
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.