-
Name
3-AMINOTHIOPHENE
- EINECS
- CAS No. 17721-06-1
- Article Data42
- CAS DataBase
- Density 1.221 g/cm3
- Solubility
- Melting Point 146 °C
- Formula C4H5NS
- Boiling Point 243.628 °C at 760 mmHg
- Molecular Weight 99.1564
- Flash Point 101.143 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Thiopheneamine;Thiophen-3-ylamine;3-Thiophenine(6CI);
- PSA 54.26000
- LogP 1.91150
3-Aminothiophene Specification
The IUPAC name of 3-Aminothiophene is thiophen-3-amine. With the CAS registry number 17721-06-1, it is also named as 3-Thiopheneamine. In addition, its molecular formula is C4H5NS and molecular weight is 99.1542.
The other characteristics of 3-Aminothiophene can be summarized as: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 48.65; (8)ACD/KOC (pH 7.4): 51.39; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 28.87 cm3; (15)Molar Volume: 81.1 cm3; (16)Polarizability: 11.44×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 48.07 kJ/mol; (21)Boiling Point: 243.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0318 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: s1ccc(N)c1
(2)InChI: InChI=1/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2
(3)InChIKey: DKGYESBFCGKOJC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2
(5)Std. InChIKey: DKGYESBFCGKOJC-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View