tert-Butylthiol
Properties
- Molecular formula
- C4H10S
- Molar mass
- 90.18 g/mol
- Exact mass
- 90.0503 Da
- Density
- 0.8 g/mL
- Melting point
- −0.5 °C
- Boiling point
- −63.7–64.2 °C
- pKa
- 11.22 (25 °C)
- Flash point
- -28.9 °C (closed cup)
- Water solubility
- insoluble
- logP
- 1.71Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor35.5% of notifiers
- H304 May be fatal if swallowed and enters airways64.5% of notifiers
- H317 May cause an allergic skin reaction91.8% of notifiers
- H319 Causes serious eye irritation65% of notifiers
- H411 Toxic to aquatic life with long lasting effects27.2% of notifiers
Aggregated from 691 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
75-66-1SMILES
CC(C)(C)SInChIKey
WMXCDAVJEZZYLT-UHFFFAOYSA-NInChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propanethiol, 2-methyl-
- 2-Methyl-2-propanethiol
- tert-Butanethiol
- 1,1-Dimethylethanethiol
- 2-Isobutanethiol
- t-Butylmercaptan
- t-Butylthiol
- t-Butanethiol
- tert-Butyl mercaptan
- TBM
Work with tert-Butylthiol
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