ChemSpider 2D Image | TICLOPIDINE 3-CHLORO ISOMER | C14H14ClNS

TICLOPIDINE 3-CHLORO ISOMER

  • Molecular FormulaC14H14ClNS
  • Average mass263.786 Da
  • Monoisotopic mass263.053558 Da
  • ChemSpider ID14420611

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-(3-Chlorbenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin [German] [ACD/IUPAC Name]
5-(3-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine [ACD/IUPAC Name]
5-(3-Chlorobenzyl)-4,5,6,7-tétrahydrothiéno[3,2-c]pyridine [French] [ACD/IUPAC Name]
5-[(3-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
55142-86-4 [RN]
Thieno[3,2-c]pyridine, 5-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydro- [ACD/Index Name]
TICLOPIDINE 3-CHLORO ISOMER
5-(3-chlorobenzyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5746HM5CU0 [DBID]
UNII:5746HM5CU0 [DBID]
UNII-5746HM5CU0 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 367.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 175.9±26.5 °C
Index of Refraction: 1.638
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 80.15
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 469.48
ACD/KOC (pH 7.4): 2465.47
Polar Surface Area: 31 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

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