chempirical

tert-Nonyl mercaptan

C9H20SCAS 25360-10-5160.32 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C9H20S
Molar mass
160.32 g/mol
Exact mass
160.1286 Da
Density
0.849 g/mL (at 20 °C)
Boiling point
120–150 °C (at 40 Torr)
logP
3.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

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
25360-10-5
SMILES
CCCCCCC(C)(C)S
InChIKey
MPBLPZLNKKGCGP-UHFFFAOYSA-N
InChI
InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3

Weigh it out

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Names and synonyms

2 names
  • tert-Nonanethiol
  • Sulfole 90

Work with tert-Nonyl 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

Trifluoromethylhexan693-09-446 % similar Octane111-65-945 % similar Nonane111-84-245 % similar Dodecane112-40-345 % similar Icosane112-95-845 % similar Undecane1120-21-445 % similar Decane124-18-545 % similar Tetratriacontane14167-59-045 % similar

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

Same formula

1-Nonanethiol1455-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook