1,2,3-Thiadiazole-5-carboxylicacid supplier

Name
1,2,3-Thiadiazole-5-carboxylic acid
EINECS
CAS No. 4833-09-4
Article Data3
CAS DataBase
Density 1.67 g/cm³
Solubility
Melting Point
Formula C₃H₂N₂O₂S
Boiling Point 322.3 °C at 760 mmHg
Molecular Weight 130.127
Flash Point 148.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3-Thiadiazole-5-carboxylic acid
PSA 91.32000
LogP 0.23630

1,2,3-Thiadiazole-5-carboxylicacid Specification

This chemical is called 1,2,3-Thiadiazole-5-carboxylicacid, and its CAS registry number is 4833-09-4. With the molecular formula of C₃H₂N₂O₂S, its molecular weight is 130.13.

Other characteristics of the 1,2,3-Thiadiazole-5-carboxylicacid can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.55; (4)ACD/LogD (pH 7.4): -2.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 80.32 Å²; (13)Index of Refraction: 1.631; (14) Molar Refractivity: 27.74 cm³; (15)Molar Volume: 77.8 cm³; (16)Polarizability: 11×10^-24cm³; (17)Surface Tension: 91.4 dyne/cm; (18)Density: 1.67 g/cm³; (19)Flash Point: 148.7 °C; (20)Enthalpy of Vaporization: 59.55 kJ/mol; (21)Boiling Point: 322.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1snnc1
2.InChI: InChI=1/C3H2N2O2S/c6-3(7)2-1-4-5-8-2/h1H,(H,6,7)
3.InChIKey: BXCZJWHJYRELHY-UHFFFAOYAE

Product Name

1,2,3-Thiadiazole-5-carboxylic acid

1,2,3-Thiadiazole-5-carboxylicacid Specification

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