3-Chlorothiobenzamide supplier

Name
3-CHLORO-THIOBENZAMIDE
EINECS
CAS No. 2548-79-0
Article Data19
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point 110 °C
Formula C₇H₆ClNS
Boiling Point 289.5 °C at 760 mmHg
Molecular Weight 171.65
Flash Point 128.9 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36-43
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Benzamide,m-chlorothio- (7CI,8CI);3-Chlorobenzenecarbothioamide;3-Chlorothiobenzamide;m-Chlorothiobenzamide;
PSA 58.11000
LogP 2.67450

3-Chlorothiobenzamide Specification

This chemical is called Benzenecarbothioamide, 3-chloro-, and its CAS registry number is 2548-79-0. With the molecular formula of C₇H₆ClNS, its molecular weight is 171.65.

Other characteristics of the Benzenecarbothioamide, 3-chloro- can be summarised as followings: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.17; (6)ACD/BCF (pH 7.4): 32.17; (7)ACD/KOC (pH 5.5): 417.45; (8)ACD/KOC (pH 7.4): 417.46; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 47.33 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 18.76×10^-24cm³; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.341 g/cm³; (19)Flash Point: 128.9 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 289.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C(c1cc(Cl)ccc1)N
2.InChI: InChI=1/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
3.InChIKey: OQEBJXXIPHYYEG-UHFFFAOYAD

Product Name

3-CHLORO-THIOBENZAMIDE

3-Chlorothiobenzamide Specification

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