S-(4-NITROBENZYL)-6-THIOINOSINE


Catalog No:   FT-0639426

CAS No:   38048-32-7

  • Molecular Formula:  419.4
  • Formula Weight: C17H17N5O6S
  • Inchl Key: DYCJFJRCWPVDHY-UHFFFAOYSA-N
  • Inchl: InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
FW: 419.412
CAS: 38048-32-7
Melting_Point: 187-190 °C(lit.)
Bolling_Point: 770.2±70.0 °C at 760 mmHg
MF: C17H17N5O6S
Product_Name: NBTI
Flash_Point: 419.6±35.7 °C
Density: 1.8±0.1 g/cm3
FW: 419.412
MF: C17H17N5O6S
Refractive_Index: 1.808
More_Info: ['1 . Appearance Unknow ', '2 . Density(g/mL,20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1) Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,11 kPa)Unknow ', '6 . Boiling point(ºC,12mm hg)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']
Bolling_Point: 770.2±70.0 °C at 760 mmHg
Exact_Mass: 419.089966
PSA: 184.64000
Computational_Chemistry: ['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 157 ', '6 . Heavy Atom Count 29 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 577 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 4 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Vapor_Pressure: 0.0±2.8 mmHg at 25°C
LogP: 1.20
Melting_Point: 187-190 °C(lit.)
Flash_Point: 419.6±35.7 °C
Density: 1.8±0.1 g/cm3
Personal_Protective_Equipment: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS: UO9025000
RIDADR: NONH for all modes of transport
WGK_Germany: 3
Safety_Statements: S24/25

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