2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide
TL;DR: 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide (CAS 21704-24-5) is a chemical compound with molecular formula C8H12F3N3S and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(trifluoromethyl)cyclohexylidene]amino]thiourea
Also Known As: NCIOpen2_006736, [[3-(trifluoromethyl)cyclohexylidene]amino]thiourea, 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide, [(E)-[3-(trifluoromethyl)cyclohexylidene]amino]thiourea
| Molecular Formula | C8H12F3N3S |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.9281 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.0704 |
| Heavy Atoms | 15 |
| Complexity | 274.7957 |
Chemical Identifiers
| CAS Number | 21704-24-5 |
|---|---|
| SMILES | C1CC(CC(=NNC(=S)N)C1)C(F)(F)F |
Product Overview
2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide (CAS 21704-24-5), with molecular formula C8H12F3N3S and molecular weight 239.07 g/mol. IUPAC: [[3-(trifluoromethyl)cyclohexylidene]amino]thiourea.
Chemical Property Profile of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide
Property Insights of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide
The XLogP value of 1.9281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 50.41 Ų, 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 2 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 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide?
The CAS number of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide is 21704-24-5.
What is the molecular formula of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide?
The molecular formula of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide is C8H12F3N3S.
What is the molecular weight of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide?
The molecular weight of 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide is 239.07 g/mol.
Where can I buy 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide?
You can request a quote for 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Trifluoromethyl)cyclohexylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.