1,1′-Thiobis[heptane]

C₁₄H₃₀SCAS 629-65-2230.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₃₀S
Molar mass: 230.45 g/mol
Exact mass: 230.2068 Da
Density: 0.8407 g/mL (at 20 °C)
Melting point: 70 °C
Boiling point: 298 °C
logP: 5.66Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 12

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

629-65-2

SMILES

CCCCCCCSCCCCCCC

InChIKey

LEMIDOZYVQXGLI-UHFFFAOYSA-N

InChI

InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Heptane, 1,1'-thiobis-
Diheptyl sulfide
Heptane, 1,1′-thiobis-
Heptyl sulfide
8-Thiapentadecane
Di-n-heptyl thioether
Di-n-heptyl sulfide
Diheptyl thioether
1-Heptylsulfanylheptane

Work with 1,1′-Thiobis[heptane]

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

Dodecyl sulfide2469-45-6100 % similar Dioctyl sulfide2690-08-6100 % similar 1-(Hexadecylthio)hexadecane3312-77-4100 % similar Dihexyl sulfide6294-31-1100 % similar 1,1′-Thiobis[decane]693-83-4100 % similar Pentyl sulfide872-10-693 % similar Dibutyl sulfide544-40-175 % similar Didecyl disulfide10496-18-167 % similar

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

Same formula

1-Tetradecanethiol2079-95-0

Elsewhere

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