Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chlorothiobenzamide |
EINECS | N/A |
CAS No. | 2548-79-0 | Density | 1.341 g/cm3 |
PSA | 58.11000 | LogP | 2.67450 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 19 |
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