tert-OCTYL MERCAPTAN

C₈H₁₈SCAS 31511-35-0146.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈S
Molar mass: 146.29 g/mol
Exact mass: 146.1129 Da
logP: 3.13Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

31511-35-0

SMILES

CC(C)(C)CC(C)(C)S

InChIKey

QZLAEIZEPJAELS-UHFFFAOYSA-N

InChI

InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3

Weigh it out

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

Names and synonyms

1 names

2,4,4-Trimethyl-2-pentanethiol

Work with tert-OCTYL MERCAPTAN

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,4,4-Tetramethylpentane1070-87-750 % similar 2-Methyl-2-butanethiol1679-09-045 % similar 2-Isocyano-2,4,4-trimethylpentane14542-93-938 % similar 2-Methyl-3-aminopropane-2-thiol hydrochloride32047-53-338 % similar 2,4,4-Trimethyl-2-pentanamine107-45-936 % similar 4-Mercapto-4-methyl-2-pentanone19872-52-735 % similar tert-Nonyl mercaptan25360-10-535 % similar 2,2,4,4,6-Pentamethylheptane62199-62-631 % similar

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

Same formula

tert-Butyl sulfide107-47-1 1-Octanethiol111-88-6 Dibutyl sulfide544-40-1 2-Ethyl-1-hexanethiol7341-17-5

Elsewhere

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