Products Categories
CAS No.: | 32418-97-6 |
---|---|
Name: | 4-Amino-1,2-dithiolane-4-carboxylic acid |
Molecular Structure: | |
Formula: | C4H7NO2S2 |
Molecular Weight: | 165.00 |
Synonyms: | 4-Aminodithiolane-4-carboxylic acid; |
Density: | 1.559 g/cm3 |
Boiling Point: | 356.8 °C at 760 mmHg |
Flash Point: | 169.6 °C |
PSA: | 113.92000 |
LogP: | 0.86380 |
What can I do for you?
Get Best Price
The CAS registry number of 4-Amino-1,2-dithiolane-4-carboxylic acid is 32418-97-6. This chemical's molecular formula is C4H7NO2S2 and molecular weight is 165.00. What's more, its IUPAC name is called 4-Aminodithiolane-4-carboxylic acid.
Physical properties about 4-Amino-1,2-dithiolane-4-carboxylic acid are: (1)ACD/LogP: 0.67; (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: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 80.14 Å2; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 39.72 cm3; (13)Molar Volume: 105.9 cm3; (14)Surface Tension: 76.8 dyne/cm; (15)Density: 1.559 g/cm3; (16)Flash Point: 169.6 °C; (17)Enthalpy of Vaporization: 66.14 kJ/mol; (18)Boiling Point: 356.8 °C at 760 mmHg; (19)Vapour Pressure: 4.71E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(N)CSSC1
(2) InChI: InChI=1S/C4H7NO2S2/c5-4(3(6)7)1-8-9-2-4/h1-2,5H2,(H,6,7)
(3) InChIKey: FMXJRGKDBHQFDW-UHFFFAOYSA-N