4-Amino-1,2-dithiolane-4-carboxylic acid supplier

Name
4-Amino-1,2-dithiolane-4-carboxylic acid
EINECS
CAS No. 32418-97-6
Density 1.559 g/cm³
Solubility
Melting Point
Formula C₄H₇NO₂S₂
Boiling Point 356.8 °C at 760 mmHg
Molecular Weight 165.00
Flash Point 169.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aminodithiolane-4-carboxylic acid;
PSA 113.92000
LogP 0.86380

4-Amino-1,2-dithiolane-4-carboxylic acid Specification

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

Product Name

4-Amino-1,2-dithiolane-4-carboxylic acid

4-Amino-1,2-dithiolane-4-carboxylic acid Specification

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