CAS No.49844-93-1,2-CHLORO-4-METHYLSULFANYL-PYRIMIDINE Suppliers

Products Categories

Pharmaceutical (38)
Organic Chemicals (10)
Others (3)
Reagent (2)

Basic Information

Molecular Structure:
CAS No.:	49844-93-1
Name:	2-CHLORO-4-METHYLSULFANYL-PYRIMIDINE
Article Data:	10

Formula:	C₅H₅ClN₂S
Molecular Weight:	160.627
Synonyms:	2-Chloro-4-(methylthio)pyrimidine;2-Chloro-4-(methylthio)pyrimidine;2-Chloro-4-methylsulfanylpyrimidine;2-Chloro-4-methylthiopyrimidine;
Density:	1.37 g/cm³
Boiling Point:	308.3 °C at 760 mmHg
Flash Point:	140.3 °C
PSA:	51.08000
LogP:	1.85190

Total:48 Page 1 of 2 1 2 Next>>

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 49844-93-1

Specification

The Pyrimidine,2-chloro-4-(methylthio)-, with the CAS registry number 49844-93-1, has the systematic name of 2-chloro-4-(methylsulfanyl)pyrimidine. It belongs to the product categories of Building Blocks and Pyrimidine. And the molecular formula of the chemical is C₅H₅ClN₂S.

The characteristics of Pyrimidine,2-chloro-4-(methylthio)- are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.66; (6)ACD/BCF (pH 7.4): 11.66; (7)ACD/KOC (pH 5.5): 201.88; (8)ACD/KOC (pH 7.4): 201.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 39.81 cm³; (15)Molar Volume: 117.2 cm³; (16)Polarizability: 15.78×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 140.3 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 308.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00125 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(SC)ccn1
(2)InChI: InChI=1/C5H5ClN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
(3)InChIKey: VAATWVRXPRDPPM-UHFFFAOYAP