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$(2R,4R)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2$l^{6}-thia-3-azacyclopent-2-ene 2-oxide (CAS: 170900-87-5) - Chemical Structure and Molecular Formula$

$(2R,4R)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2$l^{6}-thia-3-azacyclopent-2-ene 2-oxide (CAS: 170900-87-5) - Chemical Structure Thumbnail$

(2R,4R)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2$l^{6}-thia-3-azacyclopent-2-ene 2-oxide

Catalog No: FT-0773924

CAS No: 170900-87-5

Chemical Name: (2R,4R)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2$l^{6}-thia-3-azacyclopent-2-ene 2-oxide
Molecular Formula: C12H17NO2S
Molecular Weight: 239.34
InChI Key: QCNBRUOJSNBOIE-BLLLJJGKSA-N
InChI: InChI=1S/C12H17NO2S/c1-9(2)12-8-15-16(14,13-12)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3/t12-,16+/m0/s1

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

Bolling_Point:	336.764ºC at 760 mmHg
CAS:	170900-87-5
MF:	C12H17NO2S
Density:	1.194g/cm3
Melting_Point:	82-86ºC(lit.)
Product_Name:	(2R,4R)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2λ6-thia-3-azacyclopent-2-ene 2-oxide
Flash_Point:	157.47ºC
FW:	239.33400

MF:	C12H17NO2S
Density:	1.194g/cm3
Computational_Chemistry:	['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 47 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :350 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance White 晶体 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）82-86 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）[α]20/D +85°, c =1% in chloroform ', '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']
Exact_Mass:	239.09800
Vapor_Pressure:	0mmHg at 25°C
Flash_Point:	157.47ºC
PSA:	47.04000
LogP:	3.09300
Bolling_Point:	336.764ºC at 760 mmHg
FW:	239.33400
Refractive_Index:	1.568
Melting_Point:	82-86ºC(lit.)