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360575-63-9

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Basic Information
CAS No.: 360575-63-9
Name: 7-iodo-benzthiazole
Article Data: 2
Molecular Structure:
Molecular Structure of 360575-63-9 (7-iodo-benzthiazole)
Formula: C7H4INS
Molecular Weight: 260.098
Synonyms: 7-Iodobenzo[b]thiophene;7-iodo-1,3-benzothiazole;
Density: 2.035 g/cm3
Boiling Point: 316.806 °C at 760 mmHg
Flash Point: 145.4 °C
PSA: 28.24000
LogP: 3.50590
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Specification

The 7-Iodobenzothiazole, with the CAS registry number 360575-63-9, has the systematic name of 7-iodo-1,3-benzothiazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H4INS.

The characteristics of 7-Iodobenzothiazole are as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 121; (6)ACD/BCF (pH 7.4): 121; (7)ACD/KOC (pH 5.5): 1076; (8)ACD/KOC (pH 7.4): 1076; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.773; (14)Molar Refractivity: 53.478 cm3; (15)Molar Volume: 128.325 cm3; (16)Polarizability: 21.2×10-24cm3; (17)Surface Tension: 64.754 dyne/cm; (18)Density: 2.035 g/cm3; (19)Flash Point: 145.4 °C; (20)Enthalpy of Vaporization: 53.594 kJ/mol; (21)Boiling Point: 316.806 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1cccc2ncsc12
(2)InChI: InChI=1/C7H4INS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
(3)InChIKey: UBXIUNQNZGUYLT-UHFFFAOYAS