Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Propane,1-isothiocyanato-3-methoxy-

Related Products

Hot Products

Name

Propane,1-isothiocyanato-3-methoxy-

EINECS -0
CAS No. 17702-11-3 Density 0.99 g/cm3
PSA 53.68000 LogP 1.12570
Solubility N/A Melting Point N/A
Formula C5H9NOS Boiling Point 197.2 °C at 760 mmHg
Molecular Weight 131.199 Flash Point 73.1 °C
Transport Information UN 2810 Appearance clear colorless to light yellow liquid
Safety 26-39 Risk Codes 36/37
Molecular Structure Molecular Structure of 17702-11-3 (3-METHOXYPROPYL ISOTHIOCYANATE) Hazard Symbols IrritantXi
Synonyms

Isothiocyanicacid, 3-methoxypropyl ester (8CI);Ether, 3-isothiocyanatopropyl methyl;1-Isothiocyanato-3-methoxypropane;3-Methoxypropyl isothiocyanate;

Article Data 5

Propane,1-isothiocyanato-3-methoxy- Specification

The Propane,1-isothiocyanato-3-methoxy-, with the CAS registry number 17702-11-3, has the systematic name of 1-isothiocyanato-3-methoxypropane. It is a kind of clear colorless to light yellow liquid, and the molecular formula of the chemical is C5H9NOS.

The characteristics of Propane,1-isothiocyanato-3-methoxy- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.53; (6)ACD/BCF (pH 7.4): 4.53; (7)ACD/KOC (pH 5.5): 102.57; (8)ACD/KOC (pH 7.4): 102.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.68 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 37.16 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 14.73×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 73.1 °C; (20)Enthalpy of Vaporization: 41.57 kJ/mol; (21)Boiling Point: 197.2 °C at 760 mmHg; (22)Vapour Pressure: 0.538 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes and respiratory system . Therefore, you had better take the following instructions: Wear suitable protective eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C=N/CCCOC
(2)InChI: InChI=1/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3
(3)InChIKey: UKVFWFDXYBLOLU-UHFFFAOYAR

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 17702-11-3