CAS No.13001-46-2,Potassium O-Isobutyl Dithiocarbonate Suppliers

Products Categories

Pharmaceutical (11)
Organic Chemicals (10)
Reagent (3)
Others (3)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	13001-46-2
Name:	Potassium O-Isobutyl Dithiocarbonate
Article Data:	8

Formula:	C₅H₁₀OS₂^.K
Molecular Weight:	188.356
Synonyms:	Carbonicacid, dithio-, O-isobutyl ester, potassium salt (8CI);Carbonodithioic acid, O-(2-methylpropyl)ester, potassium salt (9CI);Xanthic acid, isobutyl-, potassium salt (7CI);Isobutyl potassium xanthate;O-Isobutyl potassium xanthate;Potassium O-isobutyl xanthate;Potassium isobutoxyxanthogenate;Potassium isobutyl dithiocarbonate;Potassium isobutyl xanthate;Potassium isobutylxanthogenate;
EINECS:	235-837-2
Density:	1.098g/cm³
Boiling Point:	161.8 °C at 760 mmHg
Flash Point:	51.7 °C
Solubility:	1.512g/L at 25℃
Transport Information:	UN 3342
PSA:	66.62000
LogP:	2.14140

Country:
- China (Mainland)(28)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:26 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 13001-46-2

Specification

The IUPAC name of Potassium isobutylxanthate is potassium 2-methylpropoxymethanedithioate. With the CAS registry number 13001-46-2, it is also named as Isobutyl potassium xanthate. In addition, its molecular formula is C₅H₁₀OS₂^.K and molecular weight is 189.35.

The other characteristics of Potassium isobutylxanthate can be summarized as: (1)EINECS: 235-837-2; (2)ACD/LogP: 2.82; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.28; (5)ACD/LogD (pH 7.4): -0.85; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 2.34; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 80.12 Å²; (14)Flash Point: 51.7 °C; (15)Enthalpy of Vaporization: 38.2 kJ/mol; (16)Boiling Point: 161.8 °C at 760 mmHg; (17)Vapour Pressure: 2.91 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].[S-]C(=S)OCC(C)C
(2)InChI: InChI=1/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
(3)InChIKey: CRAXZMAICBMTCW-REWHXWOFAI
(4)Std. InChI: InChI=1S/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
(5)Std. InChIKey: CRAXZMAICBMTCW-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	158mg/kg (158mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse	LD50	oral	480mg/kg (480mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: ANTIPSYCHOTIC	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(6), Pg. 95, 1976.
rat	LD50	oral	1290mg/kg (1290mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: ANTIPSYCHOTIC	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(6), Pg. 95, 1976.