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3-Aminotetrahydrothiophene-3-carboxylic acid

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Name

3-Aminotetrahydrothiophene-3-carboxylic acid

EINECS
CAS No. 32418-99-8 Density 1.383g/cm3
Solubility Melting Point
Formula C5H9NO2S Boiling Point 325.682 °C at 760 mmHg
Molecular Weight 147.20 Flash Point 150.767 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 32418-99-8 (3-Thiophenecarboxylicacid, 3-aminotetrahydro-) Hazard Symbols
Synonyms

3-Aminotetrahydrothiophene-3-carboxylicacid;

 

3-Aminotetrahydrothiophene-3-carboxylic acid Specification

The 3-Aminotetrahydrothiophene-3-carboxylic acid with cas registry number of 32418-99-8, belongs to the following product categorie: carboxylicacid. Its systematic name is 3-aminotetrahydrothiophene-3-carboxylic acid. And it is also named 3-thiophenecarboxylic acid, 3-aminotetrahydro-.

Physical properties about this chemical are: (1)ACD/LogP: 0.99; (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: 88.62 Å2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 36.175 cm3; (13)Molar Volume: 106.445 cm3; (14)Polarizability: 14.341×10-24cm3; (15)Surface Tension: 64.138 dyne/cm; (16)Enthalpy of Vaporization: 62.423 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:OC(=O)C1(N)CSCC1;
(2)InChI:InChI=1/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8);
(3)InChIKey:SAKWWHXZZFRWCN-UHFFFAOYAK;
(4)Std. InChI:InChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8);
(5)Std. InChIKey:SAKWWHXZZFRWCN-UHFFFAOYSA-N.

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