Name: Furan-2-carbothioamide
SKU: 17572-09-7

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Basic Information

Molecular Structure:
CAS No.:	17572-09-7
Name:	Furan-2-carbothioamide
Article Data:	14

Formula:	C₅H₅NOS
Molecular Weight:	127.167
Synonyms:	Furan-2-carbothioamide, 97%;
Density:	1.287 g/cm³
Melting Point:	129-130 °C
Boiling Point:	219.6 °C at 760 mmHg
Flash Point:	86.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	71.25000
LogP:	1.61410

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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