Cyclopropylmethyl isothiocyanate supplier

Name
Cyclopropylmethyl isothiocyanate
EINECS
CAS No. 6068-90-2
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₅H₇NS
Boiling Point 191.2 °C at 760 mmHg
Molecular Weight 113.18
Flash Point 63.7 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C,T
Synonyms (Isothiocyanatomethyl)cyclopropane;
PSA 44.45000
LogP 1.49920

Cyclopropylmethyl isothiocyanate Specification

This chemical is called Cyclopropylmethyl isothiocyanate, and its systematic name is (isothiocyanatomethyl)cyclopropane. With the molecular formula of C₅H₇NS, its molecular weight is 113.18. The CAS registry number of this chemical is 6068-90-2. Additionally, its product category is Ring Systems.

Other characteristics of the Cyclopropylmethyl isothiocyanate can be summarised as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.65; (6)ACD/BCF (pH 7.4): 14.65; (7)ACD/KOC (pH 5.5): 237.79; (8)ACD/KOC (pH 7.4): 237.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 33.41 cm³; (15)Molar Volume: 97.4 cm³; (16)Polarizability: 13.24×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 63.7 °C; (20)Enthalpy of Vaporization: 40.99 kJ/mol; (21)Boiling Point: 191.2 °C at 760 mmHg; (22)Vapour Pressure: 0.723 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C=N\CC1CC1
2.InChI: InChI=1/C5H7NS/c7-4-6-3-5-1-2-5/h5H,1-3H2
3.InChIKey: YRJONJBJAYHHQB-UHFFFAOYAU

Product Name

Cyclopropylmethyl isothiocyanate

Cyclopropylmethyl isothiocyanate Specification

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