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$sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate (CAS: 62625-21-2) - Chemical Structure and Molecular Formula$

$sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate (CAS: 62625-21-2) - Chemical Structure Thumbnail$

sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate

Catalog No: FT-0697050

CAS No: 62625-21-2

Chemical Name: sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
Molecular Formula: C27H29NaO5S
Molecular Weight: 488.6
InChI Key: BAVBEHWEOJMHDS-UHFFFAOYSA-M
InChI: InChI=1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1

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:	Sodium Thymol Blue
Flash_Point:	N/A
Melting_Point:	283-285 °C (dec.)(lit.)
FW:	487.564
Density:	0.979 g/mL at 25 °C
CAS:	62625-21-2
Bolling_Point:	N/A
MF:	C27H29NaO5S

LogP:	7.49120
FW:	487.564
Density:	0.979 g/mL at 25 °C
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :9 ', '6. TPSA 95 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :795 ', '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 :2']
Melting_Point:	283-285 °C (dec.)(lit.)
PSA:	95.04000
Exact_Mass:	487.156067
More_Info:	['1 . Appearance 橙色粉末。 ', '2 . Density（g/mL,25/4℃）0979 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）283-285 ', '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）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 。']
MF:	C27H29NaO5S

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard_Codes:	Xi
Risk_Statements(EU):	R36/37/38
RIDADR:	NONH for all modes of transport
WGK_Germany:	3
Safety_Statements:	S24/25