CAS 1122-82-3|Cyclohexyl isothiocyanate|Cyclohexyl isothiocyanate|cyclohexane, isothiocyanato-|Isothiocyanatocyclohexane|isothiocyanatocyclohexane|环己基异硫氰酸脂|环己基异硫氰酸酯

InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

MZSJGCPBOVTKHR-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.8689206

LogD (pH = 7.4)

2.8689206

Log P

2.8689206

Molar Refractivity

42.3433

Polarizability

16.78744

Polar Surface Area

12.36

Rotatable Bonds

Lipinski's Rule of Five

true

Cyclohexyl isothiocyanateCyclohexyl isothiocyanateIsothiocyanatocyclohexane环己基异硫氰酸脂环己基异硫氰酸酯

IUPAC Traditional name

cyclohexane, isothiocyanato-

isothiocyanatocyclohexane

Purity

98%

97%

Certificate of Analysis

Download link

Linear Formula

C6H11NCS

Click here to submit data

05211164

MP Biomedicals Rare Chemical collection

C105406

Packaging
25 g in glass bottle

Click here to submit data

Names and Identifiers

Synonyms

Cyclohexyl isothiocyanateCyclohexyl isothiocyanateIsothiocyanatocyclohexane环己基异硫氰酸脂环己基异硫氰酸酯

IUPAC Traditional name

cyclohexane, isothiocyanato-

IUPAC name

isothiocyanatocyclohexane

Registration numbers

CAS Number

EC Number

PubChem CID

PubChem SID

MDL Number

Beilstein Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C105406

Packaging
25 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Corrosive (C)

26-36/37/39-45

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

European Hazard Symbols

German water hazard class

GHS Precautionary statements

Personal Protective Equipment

GHS Hazard statements

Molecule

ID:51951