1-Decanethiol
Properties
- Molecular formula
- C10H22S
- Molar mass
- 174.35 g/mol
- Exact mass
- 174.1442 Da
- Density
- 0.84 g/mL
- Melting point
- −26 °C
- Boiling point
- 241 °C
- Flash point
- 98 °C
- Water solubility
- insoluble
- logP
- 4.06Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 8
Hazards
Danger
- H314 Causes severe skin burns and eye damage14.8% of notifiers
- H315 Causes skin irritation75.9% of notifiers
- H318 Causes serious eye damage24.1% of notifiers
- H319 Causes serious eye irritation74.1% of notifiers
- H335 May cause respiratory irritation81.5% of notifiers
- H400 Very toxic to aquatic life14.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects14.8% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
143-10-2SMILES
CCCCCCCCCCSInChIKey
VTXVGVNLYGSIAR-UHFFFAOYSA-NInChI
InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Decanethiol
- Decyl mercaptan
- 1-Mercaptodecane
- 1-Decylthiol
- n-Decanethiol
- NSC 850
- n-Decylthiol
Work with 1-Decanethiol
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
1-Hexanethiol111-31-9100 % similar
1-Octanethiol111-88-6100 % similar
1-Dodecanethiol112-55-0100 % similar
1-Nonanethiol1455-21-6100 % similar
1-Heptanethiol1639-09-4100 % similar
1-Tetradecanethiol2079-95-0100 % similar
1-Octadecanethiol2885-00-9100 % similar
Hexadecanethiol2917-26-2100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.