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| CAS No.: | 183304-68-9 |
|---|---|
| Name: | 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)- (9CI) |
| Molecular Structure: | |
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| Formula: | C4H4N2O3S |
| Molecular Weight: | 160.15116 |
| Synonyms: | 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)- (9CI);4-(Hydroxymethyl)-1,2,3-thiadiazole-5-carboxylic acid;1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl) |
| Density: | 1.746 g/cm3 |
| Boiling Point: | 405.9 °C at 760 mmHg |
| Flash Point: | 199.3 °C |
| PSA: | 111.55000 |
| LogP: | -0.27140 |
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Specification
The 1,2,3-Thiadiazole-5-carboxylicacid, 4-(hydroxymethyl)-, with the CAS registry number 183304-68-9, belongs to the product categories of Carboxylicacid; Aldehyde. This chemical's molecular formula is C4H4N2O3S and molecular weight is 160.15. Its IUPAC name is called 4-(Hydroxymethyl)-1,2,3-thiadiazole-5-carboxylic acid.
Physical properties of 1,2,3-Thiadiazole-5-carboxylicacid, 4-(hydroxymethyl)-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.668; (9)Molar Refractivity: 34.2 cm3; (10)Molar Volume: 91.7 cm3; (11)Surface Tension: 106.2 dyne/cm; (12)Density: 1.746 g/cm3; (13)Flash Point: 199.3 °C; (14)Enthalpy of Vaporization: 69.34 kJ/mol; (15)Boiling Point: 405.9 °C at 760 mmHg; (16)Vapour Pressure: 2.57E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(c1c(snn1)C(=O)O)O
(2)InChI: InChI=1/C4H4N2O3S/c7-1-2-3(4(8)9)10-6-5-2/h7H,1H2,(H,8,9)
(3)InChIKey: SOLVBZNIJYRMPM-UHFFFAOYAV