1-(Methylthio)dodecane
Properties
- Molecular formula
- C13H28S
- Molar mass
- 216.43 g/mol
- Exact mass
- 216.1912 Da
- Boiling point
- 135 °C (at 11 Torr)
- logP
- 5.27Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 11
Hazards
Danger
- H304 May be fatal if swallowed and enters airways33.3% of notifiers
- H315 Causes skin irritation57.9% of notifiers
- H317 May cause an allergic skin reaction33.3% of notifiers
- H318 Causes serious eye damage24.6% of notifiers
- H400 Very toxic to aquatic life57.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects57.9% of notifiers
- H413 May cause long lasting harmful effects to aquatic life41.2% of notifiers
Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P272, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P331, P332+P317, P333+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
3698-89-3SMILES
CCCCCCCCCCCCSCInChIKey
KJWHJDGMOQJLGF-UHFFFAOYSA-NInChI
InChI=1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Dodecane, 1-(methylthio)-
- Sulfide, dodecyl methyl
- Dodecyl methyl sulphide
- Methyl lauryl sulfide
- Dodecyl methyl sulfide
- 2-Thiatetradecane
- 1-Methylthiododecane
- NSC 87889
- n-Dodecyl methyl sulfide
- Methyl dodecyl sulfide
- 1-Methylsulfanyldodecane
- 1-(Methylsulfanyl)dodecane
Work with 1-(Methylthio)dodecane
Similar compounds
Butyl methyl sulfide628-29-578 % similar
Didecyl disulfide10496-18-160 % similar
Dodecyl sulfide2469-45-660 % similar
Dioctadecyl disulfide2500-88-160 % similar
Dioctyl sulfide2690-08-660 % similar
1-(Hexadecylthio)hexadecane3312-77-460 % similar
1,1′-Thiobis[heptane]629-65-260 % similar
Dihexyl sulfide6294-31-160 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.