tert-Butyl sulfide

C8H18SCAS 107-47-1146.29 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C8H18S
Molar mass
146.29 g/mol
Exact mass
146.1129 Da
Density
1.001 g/mL (at 15 °C)
Melting point
−9 °C
Boiling point
149.1 °C
logP
3.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 544 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
107-47-1
SMILES
CC(C)(C)SC(C)(C)C
InChIKey
LNMBCRKRCIMQLW-UHFFFAOYSA-N
InChI
InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3

Weigh it out

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

Names and synonyms

8 names
  • Propane, 2,2′-thiobis[2-methyl-
  • 2,2′-Thiobis[2-methylpropane]
  • Di-tert-butyl sulfide
  • 2,2,4,4-Tetramethyl-3-thiapentane
  • Bis(1,1-dimethylethyl) sulfide
  • NSC 4549
  • 2-tert-Butylsulfanyl-2-methylpropane
  • 2-(tert-Butylsulfanyl)-2-methylpropane

Work with tert-Butyl sulfide

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

tert-Butyl disulfide110-06-550 % similar Trithioacetone828-26-238 % similar 1,2,4,5-Tetrakis(tert-butylthio)benzene447463-65-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Octanethiol111-88-6 tert-OCTYL MERCAPTAN31511-35-0 Dibutyl sulfide544-40-1 2-Ethyl-1-hexanethiol7341-17-5

Elsewhere

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