PTH-VALINE

Catalog No: FT-0635233

CAS No: 4333-20-4

Chemical Name: PTH-VALINE
Molecular Formula: C12H14N2OS
Molecular Weight: 234.32
InChI Key: HEIKHJHSVLQGGN-UHFFFAOYSA-N
InChI: InChI=1S/C12H14N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	Phenylthiohydantoin-valine
Flash_Point:	N/A
Melting_Point:	209ºC
FW:	234.31700
Density:	N/A
CAS:	4333-20-4
Bolling_Point:	N/A
MF:	C12H14N2OS

Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 644 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :297 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1 . Molar refractive index 6720 ', '2 . Molar volume （m3/mol）1877 ', '3 . Parachor （902K）5168 ', '4 . Surface tension 574 ', '5 . Polarizability （10 -24cm 3）2664']
LogP:	2.32610
Melting_Point:	209ºC
FW:	234.31700
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）209 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 15 mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º, C=1, 氯仿）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
PSA:	64.43000
MF:	C12H14N2OS
Exact_Mass:	234.08300