1-Dodecanethiol

C12H26SCAS 112-55-0202.40 g/mol

SH
Thiol

Properties

Molecular formula
C12H26S
Molar mass
202.40 g/mol
Exact mass
202.1755 Da
Density
0.845 g/mL (at 20 °C)
Melting point
−7 °C
Boiling point
142–145 °C (at 15 Torr)
Water solubility
< 1 g/L (21.1 °C)
logP
4.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
10

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 1,091 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, P501

Identifiers

CAS number
112-55-0
SMILES
CCCCCCCCCCCCS
InChIKey
WNAHIZMDSQCWRP-UHFFFAOYSA-N
InChI
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

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

Names and synonyms

13 names · show all
  • Dodecyl mercaptan
  • Lauryl mercaptan
  • n-Lauryl mercaptan
  • n-Dodecanethiol
  • n-Dodecyl mercaptan
  • 1-Mercaptododecane
  • 1-Dodecyl mercaptan
  • n-Dodecylthiol
  • NSC 814
  • 1-Dodecylthiol
  • Thiokalcol 20
  • NDM
  • n-Dodecyl thiolate

Reactions

Work with 1-Dodecanethiol

Similar compounds

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

Same formula

Elsewhere