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

Name
1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 13368-86-0
Article Data11
CAS DataBase
Density 1.67g/cm³
Solubility
Melting Point 89℃
Formula C₃H₂N₂O₂S
Boiling Point 292.8 °C at 760 mmHg
Molecular Weight 130.127
Flash Point 130.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 4-Carboxy-2,1,3-thiadiazole;2,1,3-Thiadiazole-4-carboxylicacid;
PSA 91.32000
LogP 0.23630

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

The 1,2,5-Thiadiazole-3-carboxylicacid, with CAS registry number 13368-86-0, has the systematic name of 1,2,5-thiadiazole-3-carboxylic acid. Besides this, it is also called 4-Carboxy-2,1,3-thiadiazole. Its molecular weight is 130.13. And the chemical formula of this chemical is C₃H₂N₂O₂S.

Physical properties of 1,2,5-Thiadiazole-3-carboxylicacid: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.52; (4)ACD/LogD (pH 7.4): -3.1; (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: 130.9 °C; (20)Enthalpy of Vaporization: 56.22 kJ/mol; (21)Boiling Point: 292.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000817 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nsnc1
(2)InChI: InChI=1/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
(3)InChIKey: GFTBMBHVZZFGCK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
(5)Std. InChIKey: GFTBMBHVZZFGCK-UHFFFAOYSA-N

Product Name

1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID

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

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