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Name |
1,3-Dithiane-2-carboxylicacid |
EINECS | N/A |
CAS No. | 20461-89-6 | Density | 1.395 g/cm3 |
PSA | 87.90000 | LogP | 1.26720 |
Solubility | N/A | Melting Point |
115-116 °C |
Formula | C5H8O2S2 | Boiling Point | 354.7 °C at 760 mmHg |
Molecular Weight | 164.249 | Flash Point | 168.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Dithiane-2-carboxylicacid (8CI);NSC 193341; |
Article Data | 22 |
The 1,3-Dithiane-2-carboxylicacid, with the CAS registry number 20461-89-6, is also known as NSC 193341. This chemical's molecular formula is C5H8O2S2 and molecular weight is 164.2458. Its IUPAC name is called 1,3-dithiane-2-carboxylic acid.
Physical properties of 1,3-Dithiane-2-carboxylicacid: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): -1.97; (3)ACD/LogD (pH 7.4): -2.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 40.87 cm3; (13)Molar Volume: 117.6 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.395 g/cm3; (16)Flash Point: 168.3 °C; (17)Enthalpy of Vaporization: 65.9 kJ/mol; (18)Boiling Point: 354.7 °C at 760 mmHg; (19)Vapour Pressure: 5.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CSC(SC1)C(=O)O
(2)InChI: InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
(3)InChIKey: BZBYEAWKJNCPLB-UHFFFAOYSA-N