Propane,2-isothiocyanato-1-methoxy- supplier

Name
1-METHOXY-2-ISOTHIOCYANATO PROPANE
EINECS
CAS No. 362601-74-9
Density 1 g/cm³
Solubility
Melting Point
Formula C₅H₉NOS
Boiling Point 181.9 °C at 760 mmHg
Molecular Weight 131.2
Flash Point 63.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Isothiocyanatopropyl methyl ether;
PSA 53.68000
LogP 1.12410

Propane,2-isothiocyanato-1-methoxy- Specification

The CAS registry number of Propane,2-isothiocyanato-1-methoxy- is 362601-74-9. This chemical is also named as 2-Isothiocyanatopropyl methyl ether. In addition, its molecular formula is C₅H₉NOS and molecular weight is 131.2. Its systematic name and IUPAC name are the same which is called 2-isothiocyanato-1-methoxypropane.

Physical properties about Propane,2-isothiocyanato-1-methoxy- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.69; (6)ACD/BCF (pH 7.4): 5.69; (7)ACD/KOC (pH 5.5): 120.81; (8)ACD/KOC (pH 7.4): 120.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 36.98 cm³; (14)Molar Volume: 130.8 cm³; (15)Surface Tension: 27.6 dyne/cm; (16)Density: 1 g/cm³; (17)Flash Point: 63.8 °C; (18)Enthalpy of Vaporization: 40.1 kJ/mol; (19)Boiling Point: 181.9 °C at 760 mmHg; (20)Vapour Pressure: 1.13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/C(C)COC
(2)InChI: InChI=1/C5H9NOS/c1-5(3-7-2)6-4-8/h5H,3H2,1-2H3
(3)InChIKey: DJMXQOUSROJLDL-UHFFFAOYAR

Product Name

1-METHOXY-2-ISOTHIOCYANATO PROPANE

Propane,2-isothiocyanato-1-methoxy- Specification

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