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3354-38-9

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Basic Information
CAS No.: 3354-38-9
Name: 5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLIC ACID ETHYL ESTER
Molecular Structure:
Molecular Structure of 3354-38-9 (5-AMINO-3-THIOXO-3H-(1,2)DITHIOLE-4-CARBOXYLIC ACID ETHYL ESTER)
Formula: C6H7NO2S3
Molecular Weight: 221.325
Synonyms: 5-Amino-3-thioxo-3H-1,2-dithiole-4-carboxylicacid ethyl ester;Ethyl 5-amino-3-thioxo-3H-1,2-dithiole-4-carboxylate;NSC197049;
Density: 1.54 g/cm3
Melting Point: 183 °C
Boiling Point: 362.3 °C at 760 mmHg
Flash Point: 172.9 °C
PSA: 140.89000
LogP: 2.87920
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Specification

This chemical is called 3H-1,2-Dithiole-4-carboxylicacid, 5-amino-3-thioxo-, ethyl ester, and its systematic name is ethyl 5-amino-3-thioxo-3H-1,2-dithiole-4-carboxylate. With the molecular formula of C6H7NO2S3, its molecular weight is 221.32. The CAS registry number of this chemical is 3354-38-9.

Other characteristics of the 3H-1,2-Dithiole-4-carboxylicacid, 5-amino-3-thioxo-, ethyl ester can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 112.23 Å2; (7)Index of Refraction: 1.708; (8)Molar Refractivity: 55.85 cm3; (9)Molar Volume: 143.1 cm3; (10)Polarizability: 22.14×10-24cm3; (11)Surface Tension: 79.5 dyne/cm; (12)Density: 1.54 g/cm3; (13)Flash Point: 172.9 °C; (14)Enthalpy of Vaporization: 60.83 kJ/mol; (15)Boiling Point: 362.3 °C at 760 mmHg; (16)Vapour Pressure: 1.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C1SS/C(N)=C1/C(=O)OCC
2.InChI: InChI=1/C6H7NO2S3/c1-2-9-5(8)3-4(7)11-12-6(3)10/h2,7H2,1H3
3.InChIKey: AJKJMMOOZCTJMG-UHFFFAOYAY