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Name |
1,4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid |
EINECS | N/A |
CAS No. | 124492-04-2 | Density | 1.479 g/cm3 |
PSA | 99.93000 | LogP | 0.93800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H11NO2S2 | Boiling Point | 427.372 °C at 760 mmHg |
Molecular Weight | 205.302 | Flash Point | 212.267 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
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Hazard Symbols | N/A |
Synonyms |
(S)-1,4-DITHIA-7-AZASPIRO[4.4]NONANE-8-CARBOXYLIC ACID |
The 1, 4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid has CAS registry number 124492-04-2. This chemical's molecular formula is C7H11NO2S2 and molecular weight is 205.30. What's more, its systematic name is 1, 4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid.
Physical properties about 1, 4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 99.93 Å2; (11)Index of Refraction: 1.668; (12)Molar Refractivity: 51.688 cm3; (13)Molar Volume: 138.774 cm3; (14)Polarizability: 20.491×10-24 cm3; (15)Surface Tension: 69.57 dyne/cm; (16)Density: 1.479 g/cm3; (17)Flash Point: 212.267 °C; (18)Enthalpy of Vaporization: 74.832 kJ/mol; (19)Boiling Point: 427.372 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1CC2(CN1)SCCS2
(2) InChI: InChI=1/C7H11NO2S2/c9-6(10)5-3-7(4-8-5)11-1-2-12-7/h5,8H,1-4H2,(H,9,10)
(3) InChIKey: PRRCQQGBVXMEKW-UHFFFAOYAR