Basic Information | Post buying leads | Suppliers |
Name |
1,3,4-Thiadiazole-2-carboxylicacid |
EINECS | N/A |
CAS No. | 499770-97-7 | Density | 1.671 g/cm3 |
PSA | 91.32000 | LogP | 0.23630 |
Solubility | N/A | Melting Point |
105.2℃ |
Formula | C3H2N2O2S | Boiling Point | 331.04 °C at 760 mmHg |
Molecular Weight | 130.12518 | Flash Point | 154.008 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
1,3,4-Thiadiazole-2-carboxylic acid,97%; |
The CAS register number of 1,3,4-Thiadiazole-2-carboxylicacid is 499770-97-7. The molecular formula about this chemical is C3H2N2O2S and the molecular weight is 130.12518.
Physical properties about 1,3,4-Thiadiazole-2-carboxylicacid are: (1)ACD/LogP: -0.05; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 91.32 Å2; (10)Index of Refraction: 1.631; (11)Molar Refractivity: 27.75 cm3; (12)Molar Volume: 77.89 cm3; (13)Polarizability: 11.001x10-24cm3; (14)Surface Tension: 91.434 dyne/cm; (15)Density: 1.671 g/cm3; (16)Flash Point: 154.008 °C; (17)Enthalpy of Vaporization: 60.555 kJ/mol; (18)Boiling Point: 331.04 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nncs1
(2)InChI: InChI=1/C3H2N2O2S/c6-3(7)2-5-4-1-8-2/h1H,(H,6,7)
(3)InChIKey: DERHNSJVDWFDKZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C3H2N2O2S/c6-3(7)2-5-4-1-8-2/h1H,(H,6,7)
(5)Std. InChIKey: DERHNSJVDWFDKZ-UHFFFAOYSA-N