1,9-Nonanedithiol

C₉H₂₀S₂CAS 3489-28-9192.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀S₂
Molar mass: 192.38 g/mol
Exact mass: 192.1006 Da
Density: 0.952–0.957 g/mL
Melting point: −17.5 °C
Boiling point: 103 °C (at 0.8 Torr)
logP: 3.58Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed96.5% of notifiers

Aggregated from 1,417 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

3489-28-9

SMILES

SCCCCCCCCCS

InChIKey

GJRCLMJHPWCJEI-UHFFFAOYSA-N

InChI

InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

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Names and synonyms

2 names

1,9-Dimercaptononane
NSC 65658

Work with 1,9-Nonanedithiol

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

1,6-Hexanedithiol1191-43-1100 % similar 1,8-Octanedithiol1191-62-4100 % similar 1,10-Decanedithiol1191-67-9100 % similar 1,5-Pentanedithiol928-98-3100 % similar 1,4-Butanedithiol1191-08-889 % similar Propane-1,3-dithiol109-80-870 % similar 1-Hexanethiol111-31-960 % similar 1-Octanethiol111-88-660 % similar

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

Elsewhere

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