-
Name
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
- EINECS
- CAS No. 57079-10-4
- Article Data1
- CAS DataBase
- Density 1.434 g/cm3
- Solubility
- Melting Point
- Formula C9H11NO4S
- Boiling Point 451.4 °C at 760 mmHg
- Molecular Weight 229.257
- Flash Point 226.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid;NSC 266057;
- PSA
- LogP
1H-Pyrrole-1-aceticacid, 2,5-dihydro-a-[2-(methylthio)ethyl]-2,5-dioxo- Specification
The CAS register number of 1H-Pyrrole-1-aceticacid, 2,5-dihydro-a-[2-(methylthio)ethyl]-2,5-dioxo- is 57079-10-4. It also can be called as 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid and the IUPAC name about this chemical is 2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid. The molecular formula about this chemical is C9H11NO4S and the molecular weight is 229.252940 g/mol.
Physical properties about 1H-Pyrrole-1-aceticacid, 2,5-dihydro-a-[2-(methylthio)ethyl]-2,5-dioxo- are: (1)ACD/LogP: 0.52; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 88.98Å2; (6)Index of Refraction: 1.598; (7)Molar Refractivity: 54.57 cm3; (8)Molar Volume: 159.7 cm3; (9)Polarizability: 21.63x10-24cm3; (10)Surface Tension: 67.3 dyne/cm; (11)Flash Point: 226.8 °C; (12)Enthalpy of Vaporization: 77.87 kJ/mol; (13)Boiling Point: 451.4 °C at 760 mmHg; (14)Vapour Pressure: 2.09E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N1C(=O)\C=C/C1=O)CCSC
(2)InChI: InChI=1/C9H11NO4S/c1-15-5-4-6(9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14)
(3)InChIKey: ATFCLRKMRVDLPC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H11NO4S/c1-15-5-4-6(9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14)
(5)Std. InChIKey: ATFCLRKMRVDLPC-UHFFFAOYSA-N
Related Products
- 1H-Pyrrole-1-aceticacid
- 1H-Pyrrole-1-aceticacid, 2,5-dihydro-2,5-dioxo-
- 1H-Pyrrole-1-aceticacid, 2,5-dihydro-a-[2-(methylthio)ethyl]-2,5-dioxo-
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 1-ethylpropyl ester
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 1-methylbutyl ester
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 1-methylpropyl ester
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 2,2-dimethylpropyl ester
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 2-propen-1-yl ester
- 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 3-methylbutyl ester
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