Molecular Formula: 544.5
Formula Weight: C25H25IN2S2
Inchl Key: OYVFJKVYVDYPFV-UHFFFAOYSA-M
Inchl: InChI=1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

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

Symbol:	Warning
FW:	544.51400
Density:	N/A
CAS:	3071-70-3
Bolling_Point:	N/A
Product_Name:	3,3'-diethylthiatricarbocyanine iodide
Melting_Point:	211ºC (dec.)(lit.)
Flash_Point:	N/A
MF:	C25H25IN2S2

Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 71 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 601 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 4 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 2']
LogP:	3.13620
FW:	544.51400
Melting_Point:	211ºC (dec.)(lit.)
More_Info:	['1 . Appearance 绿色粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）211 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,005mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
PSA:	65.29000
MF:	C25H25IN2S2
Exact_Mass:	544.05000

Hazard_Codes:	Xn: Harmful;
Symbol:	Warning
Packing_Group:	III
Hazard_Class:	6.1(b)
Warning_Statement:	P261-P280-P305 + P351 + P338
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	DL7045000
Risk_Statements(EU):	R20/21/22;R36/37/38
Safety_Statements:	S26;S36/S37
RIDADR:	UN 2811
WGK_Germany:	3