S-(2-Fluoroethyl)isothiourea
TL;DR: S-(2-Fluoroethyl)isothiourea (CAS 44604-90-2) is a chemical compound with molecular formula C3H7FN2S and molecular weight 122.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl carbamimidothioate
Also Known As: S-(2-Fluoroethyl)isothiourea, 2-(2-Fluoroethyl)isothiourea, 2-(2-Fluoro-ethyl)-isothiourea, Carbamimidothioic acid, 2-fluoroethyl ester, [(2-fluoroethyl)sulfanyl]methanimidamide
| Molecular Formula | C3H7FN2S |
|---|---|
| Molecular Weight | 122.03 g/mol |
| LogP | 0.58257 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.031395 |
| Heavy Atoms | 7 |
| Complexity | 65.955246 |
Chemical Identifiers
| CAS Number | 44604-90-2 |
|---|---|
| SMILES | C(CSC(=N)N)F |
Product Overview
S-(2-Fluoroethyl)isothiourea (CAS 44604-90-2), with molecular formula C3H7FN2S and molecular weight 122.03 g/mol. IUPAC: 2-fluoroethyl carbamimidothioate.
Chemical Property Profile of S-(2-Fluoroethyl)isothiourea
Property Insights of S-(2-Fluoroethyl)isothiourea
The XLogP value of 0.58257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Fluoroethyl)isothiourea. With a topological polar surface area (TPSA) of 49.87 Ų, S-(2-Fluoroethyl)isothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Fluoroethyl)isothiourea 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 S-(2-Fluoroethyl)isothiourea?
The CAS number of S-(2-Fluoroethyl)isothiourea is 44604-90-2.
What is the molecular formula of S-(2-Fluoroethyl)isothiourea?
The molecular formula of S-(2-Fluoroethyl)isothiourea is C3H7FN2S.
What is the molecular weight of S-(2-Fluoroethyl)isothiourea?
The molecular weight of S-(2-Fluoroethyl)isothiourea is 122.03 g/mol.
Where can I buy S-(2-Fluoroethyl)isothiourea?
You can request a quote for S-(2-Fluoroethyl)isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Fluoroethyl)isothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Fluoroethyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.