N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide
TL;DR: N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide (CAS 38901-31-4) is a chemical compound with molecular formula C9H7F6N3S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Also Known As: 4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicarbazide, N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide, 1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea, 4-[3,5-Di(trifluoromethyl)phenyl]-3-thiosemicarbazide, 4-[3,5-Bis(trifluoromethyl)phenyl]thiosemicarbazide
| Molecular Formula | C9H7F6N3S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 2.8843 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.0265 |
| Heavy Atoms | 19 |
| Complexity | 449.5738 |
Chemical Identifiers
| CAS Number | 38901-31-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=S)NN)C(F)(F)F |
Product Overview
N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide (CAS 38901-31-4), with molecular formula C9H7F6N3S and molecular weight 303.03 g/mol. IUPAC: 1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide
Property Insights of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide
The XLogP value of 2.8843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 50.08 Ų, N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide has 3 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 N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide?
The CAS number of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide is 38901-31-4.
What is the molecular formula of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide?
The molecular formula of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide is C9H7F6N3S.
What is the molecular weight of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide?
The molecular weight of N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide is 303.03 g/mol.
Where can I buy N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide?
You can request a quote for N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.