Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,3,4-Thiadiazole-2(3H)-thione,5-[(phenylmethyl)amino]- |
EINECS | N/A |
CAS No. | 14731-27-2 | Density | 1.41 g/cm3 |
PSA | 104.85000 | LogP | 2.51190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9N3S2 | Boiling Point | 349.5 °C at 760 mmHg |
Molecular Weight | 223.32 | Flash Point | 165.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,4-Thiadiazole-2-thiol,5-(benzylamino)- (7CI,8CI);2-Benzylamino-5-mercapto-1,3,4-thiadiazole;5-(Benzylamino)-1,3,4-thiadiazol-2-ylthiol;5-Benzylamino-2-mercapto-1,3,4-thiadiazole; |
Article Data | 6 |
The 1,3,4-Thiadiazole-2(3H)-thione,5-[(phenylmethyl)amino]-, with the CAS registry number 14731-27-2, is also known as 2-Benzylamino-5-mercapto-1,3,4-thiadiazole. This chemical's molecular formula is C9H9N3S2 and molecular weight is 223.32. What's more, its systematic name is 5-(benzylamino)-1,3,4-thiadiazole-2(3H)-thione.
Physical properties of 1,3,4-Thiadiazole-2(3H)-thione,5-[(phenylmethyl)amino]- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 34.64; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 337.86; (8)ACD/KOC (pH 7.4): 12.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.23 Å2; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 63.22 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 25.06×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 165.2 °C; (20)Enthalpy of Vaporization: 59.4 kJ/mol; (21)Boiling Point: 349.5 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S\C(=N/N1)NCc2ccccc2
(2)InChI: InChI=1S/C9H9N3S2/c13-9-12-11-8(14-9)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
(3)InChIKey: QWHHWOMUBFYDRB-UHFFFAOYSA-N