2(3H)-Furanone, dihydro-3-isothiocyanato- supplier

Name
4-HYDROXY-3-ISOTHIOCYANATOBUTYRIC ACID LACTONE
EINECS
CAS No. 61315-63-7
Density 1.41g/cm³
Solubility
Melting Point
Formula C₅H₅NO₂S
Boiling Point 354.8 °C at 760 mmHg
Molecular Weight 143.16
Flash Point 168.4 °C
Transport Information 2810
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3-Isothiocyanatodihydrofuran-2(3H)-one;3-Isothiocyanatodihydrofuran-2-one;
PSA 70.75000
LogP 0.40470

2(3H)-Furanone, dihydro-3-isothiocyanato- Specification

This chemical is called 2(3H)-Furanone, dihydro-3-isothiocyanato-, and its systematic name is 3-isothiocyanatodihydrofuran-2(3H)-one. With the molecular formula of C₅H₅NO₂S, its molecular weight is 143.16. The CAS registry number of this chemical is 61315-63-7.

Other characteristics of the 2(3H)-Furanone, dihydro-3-isothiocyanato-can be summarised as followings: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.11; (8)ACD/KOC (pH 7.4): 19.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.75 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 35.65 cm³; (15)Molar Volume: 101.4 cm³; (16)Polarizability: 14.13×10^-24cm³; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 59.99 kJ/mol; (21)Boiling Point: 354.8 °C at 760 mmHg; (22)Vapour Pressure: 3.27E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OCCC1/N=C=S
2.InChI: InChI=1/C5H5NO2S/c7-5-4(6-3-9)1-2-8-5/h4H,1-2H2
3.InChIKey: MSBPBCHCQJBHNC-UHFFFAOYAF

Product Name

4-HYDROXY-3-ISOTHIOCYANATOBUTYRIC ACID LACTONE

2(3H)-Furanone, dihydro-3-isothiocyanato- Specification

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