CAS 95-06-7|sulfallate|N,N-diethyl[(2-chloroprop-2-en-1-yl)sulfanyl]carbothioamide|2-CHLOROALLYL DIETHYLDITHIOCARBAMATE TECHNICAL GRADE|Sulfallate|草克死|2-Chloroallyl N,N-Diethyldithiocarbamate|N,N...

Molecular Formula

C₈H₁₄ClNS₂

Molecular Mass

223.78646

Exact Mass

223.02561913

InChI

InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3

InChIKey

XJCLWVXTCRQIDI-UHFFFAOYSA-N

Canonic Smiles

CCN(C(=S)SCC(=C)Cl)CC

Isomeric Smiles

CCN(CC)C(=S)SCC(=C)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1027975

LogD (pH = 7.4)

3.1027975

Log P

3.1027975

Molar Refractivity

63.7488

Polarizability

24.713327

Polar Surface Area

3.24

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

7216

IUPAC Traditional name

sulfallate

IUPAC name

N,N-diethyl[(2-chloroprop-2-en-1-yl)sulfanyl]carbothioamide

Synonyms

2-CHLOROALLYL DIETHYLDITHIOCARBAMATE TECHNICAL GRADESulfallate草克死N,N-Diethylcarbamodithioic Acid 2-Chloro-2-propen-1-yl Ester2-Chloroallyl N,N-DiethyldithiocarbamateCDEC2-Chlorallyl DiethyldithiocarbamateCP 4,742VegadexDiethylcarbamodithioic Acid 2-Chloro-2-propenyl EsterChlorallyl DiethyldithiocarbamateSulfallateNSC 160852-Chloroallyl DiethyldithiocarbamateThioallateDiethyldithiocarbamic Acid 2-Chloroallyl Ester

MDL Number

Beilstein Number

PubChem SID

MSDS Link

GHS Pictograms

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

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

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

P201-P273-P308+P313-P501

UN 3082 9/PG 3

H302-H350-H410

Product Information

Physical Property

>212 °F

>100 °C

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MP Biomedicals

05201865

MP Biomedicals Rare Chemical collection

Sigma Aldrich

45663

Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

TRC

S688980

Sulfallate is a selective pre-planting or pre-emergence herbicide.

From Data Sources

• Bailey, W., et al.: Residue Rev., 10, 97 (1965)