4-CYANO-3-TETRAHYDROTHIOPHENONE

Catalog No: FT-0637376

CAS No: 16563-14-7

Chemical Name: 4-CYANO-3-TETRAHYDROTHIOPHENONE
Molecular Formula: C5H5NOS
Molecular Weight: 127.17
InChI Key: OHPSBDAUCJNDHP-UHFFFAOYSA-N
InChI: InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2

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

Symbol:	GHS07
CAS:	16563-14-7
Flash_Point:	141.4ºC
Product_Name:	4-cyano-3-tetrahydrothiophenone
Bolling_Point:	125ºC / 1mmHg
FW:	127.16400
Melting_Point:	71ºC
MF:	C5H5NOS
Density:	1.29g/cm3

Flash_Point:	141.4ºC
LogP:	0.44208
Bolling_Point:	125ºC / 1mmHg
FW:	127.16400
PSA:	66.16000
Computational_Chemistry:	['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 662 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :157 ', '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']
Melting_Point:	71ºC
MF:	C5H5NOS
Exact_Mass:	127.00900
Molecular_Structure:	['1 . Molar refractive index 3119 ', '2 . Molar volume （m3/mol）982 ', '3 . Parachor （902K）2655 ', '4 . Surface tension 532 ', '5 . Polarizability 1236']
Density:	1.29g/cm3
More_Info:	['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC） 71 5 . Boiling point（ºC,Atmospheric pressure） 125 °C / 1mmHg 6 . Boiling point（ºC,52kPa） Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）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']