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CAS No.: | 499770-97-7 |
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Name: | 1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID,97% |
Molecular Structure: | |
Formula: | C3H2N2O2S |
Molecular Weight: | 130.12518 |
Synonyms: | 1,3,4-Thiadiazole-2-carboxylic acid,97%; |
Density: | 1.671 g/cm3 |
Melting Point: | 105.2℃ |
Boiling Point: | 331.04 °C at 760 mmHg |
Flash Point: | 154.008 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 91.32000 |
LogP: | 0.23630 |
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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