FT-0611654 CAS:46118-95-0 chemical structure

2-(CARBOXYMETHYLTHIO)-4-METHYLPYRIMIDINE

Name: 2-(CARBOXYMETHYLTHIO)-4-METHYLPYRIMIDINE
Rating: 4.5 (11 reviews)

Catalog No: FT-0611654

CAS No: 46118-95-0

Molecular Formula: 184.22
Formula Weight: C7H8N2O2S
Inchl Key: CGMJQRAIQBSTCC-UHFFFAOYSA-N
Inchl: InChI=1S/C7H8N2O2S/c1-5-2-3-8-7(9-5)12-4-6(10)11/h2-3H,4H2,1H3,(H,10,11)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	187-192 °C
CAS:	46118-95-0
MF:	C7H8N2O2S
Flash_Point:	176ºC
Product_Name:	2-(4-methylpyrimidin-2-yl)sulfanylacetic acid
Density:	1.37 g/cm3
FW:	184.21600
Bolling_Point:	367.4ºC at 760 mmHg

Flash_Point:	176ºC
LogP:	0.96170
Bolling_Point:	367.4ºC at 760 mmHg
FW:	184.21600
PSA:	88.38000
Computational_Chemistry:	['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 0 ', '6 . TPSA 631 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 166 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Melting_Point:	187-192 °C
MF:	C7H8N2O2S
Exact_Mass:	184.03100
Density:	1.37 g/cm3
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）190-193 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，30mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']