CAS 16182-04-0|ethyl N-carbothioylcarbamate|ethyl N-carbothioylcarbamate|Ethoxycarbonyl isothiocyanate|Ethoxycarbonyl isothiocyanate|Ethyl isothiocyanatoformate|Ethyl carbonisothiocyanatidate|Ethoxy...

InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3

BDTDECDAHYOJRO-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.3585781

LogD (pH = 7.4)

1.3585781

Log P

1.3585781

Molar Refractivity

32.1705

Polarizability

12.773131

Polar Surface Area

38.66

Rotatable Bonds

Lipinski's Rule of Five

true

Ethoxycarbonyl isothiocyanateEthyl isothiocyanatoformateEthyl carbonisothiocyanatidateEthoxycarbonyl isothiocyanate异硫氰酰甲酸乙酯Ethoxycarbonyl isothiocyanate乙氧羰基异硫氰酸酯Carbonic Acid Ethyl Ester IsothiocyanateNSC 158480Carbon(isothiocyanatidic)acid Ethyl EsterEthoxycarbonyl Mustard OilCarbethoxyisothiocyanateethyl N-(sulfanylidenemethylidene)carbamate异硫氰酸乙氧羰酯

IUPAC Traditional name

ethyl N-carbothioylcarbamate

Download link

IRRITANT, LACHRYMATOR

Click here to submit data

196126

Packaging
5, 25 g in glass bottle
Application
Versatile reagent used to synthesize thiocarbamides from stannylarenes,1 1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines,2 and N-acylthioureas fromaminodeoxy sugars.3

• Useful building block in the synthesis of various heterocycles. For a review, see: Synthesis, 301 (1975). For use in synthesis of 1,2,4-oxadiazolidine-3,5-dione, see: Synthesis, 265 (1991):

Names and Identifiers

Synonyms

IUPAC Traditional name

ethyl N-carbothioylcarbamate

IUPAC name

ethyl N-carbothioylcarbamate

Registration numbers

EC Number

Beilstein Number

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

196126

References

PubChem Literature

From Data Sources

• Useful building block in the synthesis of various heterocycles. For a review, see: Synthesis, 301 (1975). For use in synthesis of 1,2,4-oxadiazolidine-3,5-dione, see: Synthesis, 265 (1991):

Bioactivity

PubChem BioAssay

Flammable/Toxic/Harmful/Irritant/Corrosive/Lachrymatory/Moisture Sensitive/Keep Cold/Store under Argon

Moisture Sensitive

TSCA Listed

false

否

GHS Hazard statements

H226-H315-H317-H319-H331-H334-H335

H301-H311-H332-H314-H318-H226

Storage Temperature

2-8°C

GHS Precautionary statements

P261-P280-P305+P351+P338-P311

P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Class

6.1

UN Number

2929

UN2924

Risk Statements

23-36/37/38-42

10-20/21/22-34

Packing Group

III

GHS Pictograms

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

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), categories 1,2,3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Safety Statements

23-26-36/37/39-45

9-20-23-26-36/37/39-45-60

GHS Signal Word

Danger

German water hazard class

RID/ADR

UN 2929 6.1/PG 2

European Hazard Symbols

Toxic (T)

Corrosive (C)

Harmful (X)

Hydrophobicity(logP)

Certificate of Analysis

Molecule

ID:7819