5-Isoxazolecarbothioamide supplier

Name
ISOXAZOLE-5-CARBOTHIOAMIDE
EINECS
CAS No. 175334-72-2
Density 1.392 g/cm³
Solubility
Melting Point
Formula C₄H₄N₂OS
Boiling Point 287.2 °C at 760 mmHg
Molecular Weight 128.15
Flash Point 127.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms ISOXAZOLE-5-CARBOTHIOAMIDE;Isoxazole-5-carboxthioamide;5-Isoxazolecarbothioamide(9CI);ISOXAZOLE-5-THIOCARBOXAMIDE;Isoxazole-5-carbothioic acid amide
PSA 84.14000
LogP 1.00910

5-Isoxazolecarbothioamide Specification

The 5-Isoxazolecarbothioamide, with the CAS registry number of 175334-72-2, is also known as 1,2-Oxazole-5-carbothioamide. It belongs to the product category of Thioamide. This chemical's molecular formula is C₄H₄N₂OS and molecular weight is 128.15. What's more, its systematic name is Isoxazole-5-carbothioamide.

Physical properties about the 5-Isoxazolecarbothioamide 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; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.58; (8)ACD/KOC (pH 7.4): 10.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.36 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 32.83 cm³; (15)Molar Volume: 92 cm³; (16)Surface Tension: 75.5 dyne/cm; (17)Density: 1.392 g/cm³; (18)Flash Point: 127.5 °C; (19)Enthalpy of Vaporization: 52.64 kJ/mol; (20)Boiling Point: 287.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00251 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, 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, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)c1oncc1
(2) InChI: InChI=1/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
(3) InChIKey: CEDRGDFENMZKCQ-UHFFFAOYAZ

Product Name

ISOXAZOLE-5-CARBOTHIOAMIDE

5-Isoxazolecarbothioamide Specification

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