1-Hexadecanesulfonyl chloride

C₁₆H₃₃ClO₂SCAS 38775-38-1324.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₃ClO₂S
Molar mass: 324.95 g/mol
Exact mass: 324.1890 Da
Melting point: 49–50 °C
logP: 6.04Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 15

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

38775-38-1

SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)Cl

InChIKey

YOSVFFVBSPQTTP-UHFFFAOYSA-N

InChI

InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3

Weigh it out

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

Names and synonyms

2 names

Hexadecylsulfonyl chloride
NSC 93798

Work with 1-Hexadecanesulfonyl chloride

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-Octanesulfonyl chloride7795-95-1100 % similar Butanesulfonyl chloride2386-60-982 % similar Propanesulfonyl chloride10147-36-165 % similar 1-Octanesulfonic acid3944-72-756 % similar 3-Chloropropanesulfonyl chloride1633-82-550 % similar Sodium decanesulfonate13419-61-945 % similar Sodium hexadecylsulfonate15015-81-345 % similar Sodium heptanesulfonate22767-50-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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