1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)- supplier

Name
5-(PROPYLTHIO)-1,3,4-THIADIAZOLE-2-THIOL
EINECS
CAS No. 19921-88-1
Article Data3
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point 145-147 °C
Formula C₅H₈N₂S₃
Boiling Point 273.3 °C at 760 mmHg
Molecular Weight 192.33
Flash Point 119.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3,4-Thiadiazole-2-thiol,5-(propylthio)- (6CI,8CI);NSC 12587;D2-1,3,4-Thiadiazoline-5-thione, 2-(propylthio)-;Propylthio-1,3,4-thiadiazole-2-thiol;5-(Propylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione;5-N-Propylthio-1,3,4-thiadiazole-2-thiol;2-N-Propylthio-1,3,4-thiadiazole-5-thiol;
PSA 118.12000
LogP 2.32890

1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)- Specification

The 1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)-, with the CAS registry number 19921-88-1, is also known as Propylthio-1,3,4-thiadiazole-2-thiol. This chemical's molecular formula is C₅H₈N₂S₃ and molecular weight is 192.33. What's more, its systematic name is 5-(Propylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione.

Physical properties of 1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.12; (8)ACD/KOC (pH 7.4): 1.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 98.29 Å²; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 51.9 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 20.57×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 119.1 °C; (20)Enthalpy of Vaporization: 51.16 kJ/mol; (21)Boiling Point: 273.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00578 mmHg at 25°C.

Preparation: this chemical can be prepared by [1,3,4]thiadiazolidine-2,5-dithione and 1-bromo-propane by heating. This reaction will need reagent KOH and solvent ethanol with the reaction time of 8 hours. The yield is about 85%.

1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)- can be prepared by [1,3,4]thiadiazolidine-2,5-dithione and 1-bromo-propane by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCSC1=NNC(=S)S1
(2)InChI: InChI=1S/C5H8N2S3/c1-2-3-9-5-7-6-4(8)10-5/h2-3H2,1H3,(H,6,8)
(3)InChIKey: FYFAZHVKVXJZAI-UHFFFAOYSA-N

Product Name

5-(PROPYLTHIO)-1,3,4-THIADIAZOLE-2-THIOL

1,3,4-Thiadiazole-2(3H)-thione,5-(propylthio)- Specification

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