2-Furancarbothioicacid, 5-nitro-, S-ethyl ester supplier

Name
ethylsulfanyl-(5-nitro-2-furyl)methanone
EINECS
CAS No. 5458-04-8
Density 1.377 g/cm³
Solubility
Melting Point
Formula C₇H₇NO₄S
Boiling Point 299.5 °C at 760 mmHg
Molecular Weight 201.1998
Flash Point 134.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Furoicacid, 5-nitrothio-, S-ethyl ester (6CI,8CI);NSC 23781;
PSA 101.33000
LogP 2.60430

2-Furancarbothioicacid, 5-nitro-, S-ethyl ester Specification

The 2-Furancarbothioicacid, 5-nitro-, S-ethyl ester, with the CAS registry number 5458-04-8, is also known as Ethylsulfanyl-(5-nitro-2-furyl)methanone. This chemical's molecular formula is C₇H₇NO₄S and molecular weight is 201.1998. What's more, its IUPAC name is S-Ethyl 5-nitrofuran-2-carbothioate.

Physical properties about 2-Furancarbothioicacid, 5-nitro-, S-ethyl ester are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 101.33 Å²; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 47.75 cm³; (9)Molar Volume: 146 cm³; (10)Polarizability: 18.93×10^-24 cm³; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.377 g/cm³; (13)Flash Point: 134.9 °C; (14)Enthalpy of Vaporization: 53.95 kJ/mol; (15)Boiling Point: 299.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00119 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1oc(C(=O)SCC)cc1
(2) InChI: InChI=1/C7H7NO4S/c1-2-13-7(9)5-3-4-6(12-5)8(10)11/h3-4H,2H2,1H3
(3) InChIKey: BIKPMVNWCZMWOB-UHFFFAOYAN

Product Name

ethylsulfanyl-(5-nitro-2-furyl)methanone

2-Furancarbothioicacid, 5-nitro-, S-ethyl ester Specification

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