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23917-22-8

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Basic Information
CAS No.: 23917-22-8
Name: 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBONITRILE
Article Data: 37
Molecular Structure:
Molecular Structure of 23917-22-8 (2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBONITRILE)
Formula: C10H12N2S
Molecular Weight: 192.285
Synonyms: 2-Amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene;
Density: 1.23 g/cm3
Melting Point: 115-117 °C(Solv: ethanol (64-17-5))
Boiling Point: 406.4 °C at 760 mmHg
Flash Point: 199.6 °C
PSA: 78.05000
LogP: 3.05208
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Specification

The 4H-Cyclohepta[b]thiophene-3-carbonitrile,2-amino-5,6,7,8-tetrahydro- is an organic compound with the formula C10H12N2S. The IUPAC name of this chemical is 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile. With the CAS registry number 23917-22-8, it is also named as 2-Amino-3-cyano-4,5-pentamethylene thiophene.

Physical properties about 4H-Cyclohepta[b]thiophene-3-carbonitrile,2-amino-5,6,7,8-tetrahydro- are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 200.19; (5)ACD/BCF (pH 7.4): 200.19; (6)ACD/KOC (pH 5.5): 1545.2; (7)ACD/KOC (pH 7.4): 1545.2; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 55.27 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 54.17 cm3; (14)Molar Volume: 156.1 cm3; (15)Polarizability: 21.47×10-24cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 199.6 °C; (19)Enthalpy of Vaporization: 65.82 kJ/mol; (20)Boiling Point: 406.4 °C at 760 mmHg; (21)Vapour Pressure: 8.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c2c(sc1N)CCCCC2
(2)InChI: InChI=1/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
(3)InChIKey: GBQACFCEZPKMTA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
(5)Std. InChIKey: GBQACFCEZPKMTA-UHFFFAOYSA-N