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

1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-

Related Products

Hot Products

Name

1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-

EINECS N/A
CAS No. 25660-71-3 Density 1.39 g/cm3
PSA 105.34000 LogP 2.99380
Solubility N/A Melting Point 157.0 to 161.0 °C
Formula C9H9N3S2 Boiling Point 416.2 °C at 760 mmHg
Molecular Weight 223.323 Flash Point 205.5 °C
Transport Information N/A Appearance N/A
Safety 36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25660-71-3 (2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE) Hazard Symbols Xi
Synonyms

2-Amino-5-benzylmercapto-1,3,4-thiadiazole;2-Amino-5-benzylthio-1,2,4-thiadiazol;2-Amino-5-benzylthio-1,3,4-thiadiazole;5-Amino-2-(benzylthio)-1,3,4-thiadiazole;5-Benzylsulfanyl-2-amino-1,3,4-thiadiazole;NSC 204491;1,3,4-Thiadiazole,2-amino-5-(benzylthio)- (6CI,7CI,8CI);

Article Data 35

1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]- Specification

The 1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-, with the CAS registry number 25660-71-3, is also known as 2-Amino-5-benzylthio-1,3,4-thiadiazole. This chemical's molecular formula is C9H9N3S2 and molecular weight is 223.32. What's more, its IUPAC name is 2-Amino-2-propylpentanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.62; (6)ACD/BCF (pH 7.4): 60.63; (7)ACD/KOC (pH 5.5): 657.07; (8)ACD/KOC (pH 7.4): 657.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 82.56 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 61.46 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 24.36×10-24cm3; (17)Surface Tension: 76.6 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 205.5 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 416.2 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-07 mmHg at 25 °C.

Preparation of 1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]: this chemical can be prepared by Chloromethyl-benzene and 5-Amino-3H-[1,3,4]thiadiazole-2-thione. This reaction needs reagent KOH. The yield is 83 %.

Uses of 1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]: it can react with 5-Chloro-pentanoyl chloride to give 5-Chloro-pentanoic acid (5-benzylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide. The reaction occurs with reagents Et3N, 4-DMAP. The reaction needs solvent CH2Cl2. This reaction will occur at temperature of Ambient temperature for 3 hours. The yield is 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nnc(s1)N)Cc2ccccc2
(2) InChI: InChI=1/C9H9N3S2/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
(3) InChIKey: BHIGBGKIAJJBGD-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #5401853,
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #5401853,

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 25660-71-3