![[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea structure](/static/products/6618/66181-17-7.webp)
[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea
TL;DR: [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea (CAS 66181-17-7) is a chemical compound with molecular formula C4H3F3N4S2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea
Also Known As: n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea, [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea, 1-(5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl)thiourea
| Molecular Formula | C4H3F3N4S2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 1.2124 |
| Topological Polar Surface Area | 63.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97513 |
| Heavy Atoms | 13 |
| Complexity | 319.4342 |
Chemical Identifiers
| CAS Number | 66181-17-7 |
|---|---|
| SMILES | C1(=NN=C(S1)NC(=S)N)C(F)(F)F |
Product Overview
[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea (CAS 66181-17-7), with molecular formula C4H3F3N4S2 and molecular weight 227.98 g/mol. IUPAC: [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea.
Chemical Property Profile of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea
Property Insights of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea
The XLogP value of 1.2124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea. The TPSA of 63.83 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea. Following Lipinski's Rule of Five, [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The CAS number of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea is 66181-17-7.
What is the molecular formula of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The molecular formula of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea is C4H3F3N4S2.
What is the molecular weight of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The molecular weight of [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea is 227.98 g/mol.
Where can I buy [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea?
You can request a quote for [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.