Product Name

  • Name

    2-Amino-6-phthalimido-4,5,6,7-tetrahydro benzothiazole

  • EINECS
  • CAS No. 104618-33-9
  • Article Data4
  • CAS DataBase
  • Density 1.516 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H13N3O2S
  • Boiling Point 526.459 °C at 760 mmHg
  • Molecular Weight 299.3476
  • Flash Point 272.193 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104618-33-9 (2-Amino-6-phthalimido-4,5,6,7-tetrahydro benzothiazole)
  • Hazard Symbols
  • Synonyms 2-(2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)isoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-
  • PSA 104.53000
  • LogP 2.39790

1H-Isoindole-1,3(2H)-dione,2-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)- Specification

This chemical is called 1H-Isoindole-1,3(2H)-dione,2-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-, and its systematic name is 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione. With the molecular formula of C15H13N3O2S, its molecular weight is 299.3476. The CAS registry number of this chemical is 104618-33-9.

Other characteristics of the 1H-Isoindole-1,3(2H)-dione,2-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 48; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 547; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 104.53 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 79.437 cm3; (15)Molar Volume: 197.478 cm3; (16)Polarizability: 31.491×10-24cm3; (17)Surface Tension: 84.26 dyne/cm; (18)Density: 1.516 g/cm3; (19)Flash Point: 272.193 °C; (20)Enthalpy of Vaporization: 80.082 kJ/mol; (21)Boiling Point: 526.459 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c1ccccc1C(=O)N2C4CCc3nc(sc3C4)N
2.InChI: InChI=1/C15H13N3O2S/c16-15-17-11-6-5-8(7-12(11)21-15)18-13(19)9-3-1-2-4-10(9)14(18)20/h1-4,8H,5-7H2,(H2,16,17)
3.InChIKey: JGSJAYTWMVKMPF-UHFFFAOYAH

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