N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Base Information

Chemical Name:N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
CAS No.:95046-30-3
Molecular Formula:C12H13N3OS2
Molecular Weight:279.387
Hs Code.:2934999090
European Community (EC) Number:305-817-9
UNII:AS4ER4ZBK9
DSSTox Substance ID:DTXSID301142917
Nikkaji Number:J326.320G
Mol file:95046-30-3.mol

Synonyms:95046-30-3;AS4ER4ZBK9;EINECS 305-817-9;N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide;UNII-AS4ER4ZBK9;N-(3-Methyl-5-((phenylmethyl)thio)-1,3,4-thiadiazol-2(3H)-ylidene)acetamide;N-(5-benzylsulfanyl-3-methyl-1,3,4-thiadiazol-2-ylidene)acetamide;DTXSID301142917;C12-H13-N3-O-S2;ACETAMIDE, N-(3-METHYL-5-((PHENYLMETHYL)THIO)-1,3,4-THIADIAZOL-2(3H)-YLIDENE)-

Suppliers and Price of N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:403.181°C at 760 mmHg
Flash Point:197.637°C
PSA：100.79000
Density:1.308g/cm³
LogP:2.22110
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.05000439
Heavy Atom Count:18
Complexity:376

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N=C1N(N=C(S1)SCC2=CC=CC=C2)C
Uses N-(5-(Benzylthio)-3-methyl-1,3,4-thiadiazole-2(3H)-ylidene) Acetamide is used in the preparation, SAR, antibacterial and antifungal activities of ((benzylsulfinyl)methyl-1,3,4-thiadiazolylidene)-thiourea/urea derivatives.

Technology Process of N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide

There total 5 articles about N-[3-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 100-44-7
benzyl chloride

: 95046-30-3
N-(5-benzylmercapto-3-methyl-3H-[1,3,4]thiadiazol-2-yliden)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: aq.-ethanolic NaOH

2: sodium methylate; methanol

With methanol; sodium hydroxide; sodium methylate;
DOI:10.1021/ja01599a033

Reference yield:

: 25660-71-3
2-amino-5-benzylthio-1,3,4-thiadiazole

: 95046-30-3
N-(5-benzylmercapto-3-methyl-3H-[1,3,4]thiadiazol-2-yliden)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid

2: sodium methylate; methanol

With methanol; sodium methylate; acetic acid;
DOI:10.1021/ja01599a033