Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Amino-5-methylthio-1,3,4-thidiazole

Related Products

Hot Products

Name

2-Amino-5-methylthio-1,3,4-thidiazole

EINECS 203-573-7
CAS No. 5319-77-7 Density 1.48 g/cm3
PSA 106.07000 LogP 0.77230
Solubility N/A Melting Point 178-181 °C(lit.)
Formula C3H5N3S2 Boiling Point 318.1 °C at 760 mmHg
Molecular Weight 147.225 Flash Point 146.2 °C
Transport Information N/A Appearance Yellowish crystalline powder
Safety 22-24/25 Risk Codes 20/22
Molecular Structure Molecular Structure of 5319-77-7 (2-AMINO-5-(METHYLTHIO)-1,3,4-THIADIAZOLE) Hazard Symbols HarmfulXn
Synonyms

1,3,4-Thiadiazole,2-amino-5-(methylthio)- (6CI,7CI,8CI);2-Amino-5-(methylthio)-1,3,4-thiadiazole;2-Amino-5-methylmercapto-1,3,4-thiadiazole;2-Amino-5-methylthio-1,2,4-thiadiazol;5-(Methylthio)-2-amino-1,3,4-thiadiazole;5-(Methylthio)-[1,3,4]thiadiazol-2-amine;5-Amino-2-(methylthio)-1,3,4-thiadiazole;NSC 67524;5-(methylsulfanyl)-1,3,4-thiadiazol-2-amine;1,3,4-Thiadiazol-2-amine, 5-(methylthio)-;1,3, 4-Thiadiazole, 2-amino-5- (methylthio)-;1,3,4-Thiadiazol-2-amine, 5-(methylthio)- (9CI);2-Amino-5-(methylthio)-1,3,4-thiadiazole;2-Amino-5-methylmercapto-1,3,4-thiadiazole;5-(methylthio)-1,3,4-thiadiazol-2-amine;

Article Data 26

2-Amino-5-methylthio-1,3,4-thidiazole Specification

The 2-Amino-5-methylthio-1,3,4-thidiazole, with the CAS registry number 5319-77-7 and EINECS registry number 203-573-7, has the systematic name of 5-(methylsulfanyl)-1,3,4-thiadiazol-2-amine. It is a kind of yellowish crystalline powder, and belongs to the following product categories: Amines; Oxadiazoles & Thiadiazoles; Oxadiazoles & Thiadiazoles; Building Blocks; Heterocyclic Building Blocks; Thiadiazoles. And the molecular formula of the chemical is C3H5N3S2.

The characteristics of 2-Amino-5-methylthio-1,3,4-thidiazole are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.71; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 70.97; (8)ACD/KOC (pH 7.4): 71; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.56 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 36.74 cm3; (15)Molar Volume: 99.2 cm3; (16)Polarizability: 14.56×10-24cm3; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 55.96 kJ/mol; (21)Boiling Point: 318.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000369 mmHg at 25°C. 

Preparation of 2-Amino-5-methylthio-1,3,4-thidiazole: This chemical can be prepared by 5-amino-3H-[1,3,4]thiadiazole-2-thione and iodomethane. The reaction will need reagent aq. KOH, and the yield is about 55%. 

Uses of 2-Amino-5-methylthio-1,3,4-thidiazole: It can react with acetic acid anhydride to produce N-(5-methylsulfanyl-[1,3,4]thiadiazol-2-yl)-acηmide. This reaction will need reagent AcOH, and the temperature of 35-40°C, and the yield is about 97%.

You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust and then try to avoid contacting with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1nnc(s1)N)C
(2)InChI: InChI=1/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)
(3)InChIKey: PCLAZAJARAIGGD-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 980mg/kg (980mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 484, 1977.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 5319-77-7