CAS No.106748-26-9,3-IODO-THIOBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	106748-26-9
Name:	3-IODO-THIOBENZAMIDE

Formula:	C₇H₆INS
Molecular Weight:	263.102
Synonyms:	3-Iodothiobenzamide;m-Iodothiobenzamide;3-Iodobenzenecarbothioamide;
Density:	1.905 g/cm³
Melting Point:	120-124 °C
Boiling Point:	336 °C at 760 mmHg
Flash Point:	157 °C
Appearance:	yellow powder
Hazard Symbols:	Xn
Risk Codes:	36/37/38-22
Safety:	37/39-26
PSA:	58.11000
LogP:	2.62570

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Specification

The Benzenecarbothioamide,3-iodo-, with the CAS registry number 106748-26-9, is also known as 3-Iodothiobenzamide. This chemical's molecular formula is C₇H₆INS and molecular weight is 263.1. What's more, its systematic name is 3-iodobenzenecarbothioamide. It should be sealed and stored in a cool and dry place with the temperature of 0 - 6 °C.

Physical properties of Benzenecarbothioamide,3-iodo- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/BCF (pH 5.5): 69.06; (5)ACD/BCF (pH 7.4): 69.07; (6)ACD/KOC (pH 5.5): 721.33; (7)ACD/KOC (pH 7.4): 721.36; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.33 Å²; (12)Index of Refraction: 1.734; (13)Molar Refractivity: 55.34 cm³; (14)Molar Volume: 138 cm³; (15)Polarizability: 21.94×10^-24cm³; (16)Surface Tension: 69.5 dyne/cm; (17)Density: 1.905 g/cm³; (18)Flash Point: 157 °C; (19)Enthalpy of Vaporization: 57.91 kJ/mol; (20)Boiling Point: 336 °C at 760 mmHg; (21)Vapour Pressure: 0.000115 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)I)C(=S)N
(2)InChI: InChI=1S/C7H6INS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: AKDKWPJNKCULKS-UHFFFAOYSA-N