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Furan-2-carbothioamide

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Name

Furan-2-carbothioamide

EINECS N/A
CAS No. 17572-09-7 Density 1.287 g/cm3
PSA 71.25000 LogP 1.61410
Solubility N/A Melting Point 129-130 °C
Formula C5H5NOS Boiling Point 219.6 °C at 760 mmHg
Molecular Weight 127.167 Flash Point 86.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17572-09-7 (Furan-2-carbothioamide) Hazard Symbols IrritantXi
Synonyms

Furan-2-carbothioamide, 97%;

Article Data 14

Furan-2-carbothioamide Specification

The Furan-2-carbothioamide with the CAS registry number of 17572-09-7 is also known as Furancarbothioamide. The IUPAC name is furan-2-carbothioamide. In addition, the formula is C5H5NOS and molecular weight is 127.16. And it belongs to the categories of Furans, Benzofurans & Dihydrobenzofurans; Furans, Benzofurans & Dihydrobenzofurans. What's more, it has irritant.

Physical properties about Furan-2-carbothioamide are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.84; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 53.86; (8)ACD/KOC (pH 7.4): 53.86; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.47 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 34.74 cm3; (15)Molar Volume: 98.7 cm3; (16)Polarizability: 13.77 ×10-24cm3; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 86.6 °C; (20)Enthalpy of Vaporization: 45.6 kJ/mol; (21)Boiling Point: 219.6 °C at 760 mmHg; (22)Vapour Pressure: 0.118 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)c1occc1
(2) InChI: InChI=1/C5H5NOS/c6-5(8)4-2-1-3-7-4/h1-3H,(H2,6,8)
(3) InChIKey: OUZNHXMJEBIDSZ-UHFFFAOYAZ

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