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Name |
1,2,3-Thiadiazole-5-carboxylicacid, 4-(hydroxymethyl)- |
EINECS | N/A |
CAS No. | 183304-68-9 | Density | 1.746 g/cm3 |
PSA | 111.55000 | LogP | -0.27140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4N2O3S | Boiling Point | 405.9 °C at 760 mmHg |
Molecular Weight | 160.15116 | Flash Point | 199.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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) |
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