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70291-62-2

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Basic Information
CAS No.: 70291-62-2
Name: 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBONITRILE
Article Data: 38
Molecular Structure:
Molecular Structure of 70291-62-2 (2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBONITRILE)
Formula: C8H8N2S
Molecular Weight: 164.231
Synonyms: 2-Amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene;2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile;NSC 86940;
Density: 1.33 g/cm3
Melting Point: 153-154℃
Boiling Point: 379.9 °C at 760 mmHg
Flash Point: 183.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 78.05000
LogP: 2.27188
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Specification

The CAS register number of 4H-Cyclopenta[b]thiophene-3-carbonitrile,2-amino-5,6-dihydro- is 70291-62-2. It also can be called as 2-Amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene and the IUPAC name about this chemical is 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile. The molecular formula about this chemical is C8H8N2S and the molecular weight is 164.23.

Physical properties about 4H-Cyclopenta[b]thiophene-3-carbonitrile,2-amino-5,6-dihydro- are: (1)ACD/LogP: 2.20; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 55.27Å2; (6)Index of Refraction: 1.649; (7)Molar Refractivity: 44.91 cm3; (8)Molar Volume: 123.2 cm3; (9)Polarizability: 17.8x10-24cm3; (10)Surface Tension: 67.2 dyne/cm; (11)Enthalpy of Vaporization: 62.8 kJ/mol; (12)Boiling Point: 379.9 °C at 760 mmHg; (13)Vapour Pressure: 5.64E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c2c(sc1N)CCC2
(2)InChI: InChI=1/C8H8N2S/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,10H2
(3)InChIKey: RILAXFOADRDGPQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H8N2S/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,10H2
(5)Std. InChIKey: RILAXFOADRDGPQ-UHFFFAOYSA-N