7-Iodobenzothiazole supplier | CasNO.360575-63-9

Name
7-iodo-benzthiazole
EINECS
CAS No. 360575-63-9
Article Data2
CAS DataBase
Density 2.035 g/cm³
Solubility
Melting Point
Formula C₇H₄INS
Boiling Point 316.806 °C at 760 mmHg
Molecular Weight 260.098
Flash Point 145.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Iodobenzo[b]thiophene;7-iodo-1,3-benzothiazole;
PSA 28.24000
LogP 3.50590

7-Iodobenzothiazole 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

Product Name

7-iodo-benzthiazole

7-Iodobenzothiazole Specification

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