CAS 628-30-8|propyl isothiocyanate|propane, 1-isothiocyanato-|1-isothiocyanatopropane|Propyl isothiocyanate|异硫氰酸丙酯|1-Propyl isothiocyanate|异硫氰酸正丙酯|n-PROPYL ISOTHIOCYANATE

InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

KKASGUHLXWAKEZ-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.9489805

LogD (pH = 7.4)

1.9489805

Log P

1.9489805

Molar Refractivity

30.6017

Polarizability

11.987763

Polar Surface Area

12.36

Rotatable Bonds

Lipinski's Rule of Five

true

1-isothiocyanatopropane

propyl isothiocyanatePropyl isothiocyanate异硫氰酸丙酯1-Propyl isothiocyanate异硫氰酸正丙酯n-PROPYL ISOTHIOCYANATE

IUPAC Traditional name

propane, 1-isothiocyanato-

Purity

97%

98%

Certificate of Analysis

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Linear Formula

CH3CH2CH2NCS

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05202982

MP Biomedicals Rare Chemical collection

253944

Packaging
5 g in glass bottle

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Names and Identifiers

IUPAC name

1-isothiocyanatopropane

Synonyms

propyl isothiocyanatePropyl isothiocyanate异硫氰酸丙酯1-Propyl isothiocyanate异硫氰酸正丙酯n-PROPYL ISOTHIOCYANATE

IUPAC Traditional name

propane, 1-isothiocyanato-

Registration numbers

CAS Number

MDL Number

EC Number

PubChem CID

PubChem SID

Beilstein Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

253944

Packaging
5 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

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

Corrosive (C)

Density

0.978 g/mL at 25 °C(lit.)

0.977

GHS Hazard statements

European Hazard Symbols

Personal Protective Equipment

GHS Precautionary statements

German water hazard class

Molecule

ID:87060