S-n-Butylisothiourea
TL;DR: S-n-Butylisothiourea (CAS 2986-22-3) is a chemical compound with molecular formula C5H12N2S and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl carbamimidothioate
Also Known As: S-n-Butylisothiourea, butyl carbamimidothioate, S-Butylisothiourea, 2-butylisothiourea, Butylthioformamidine
| Molecular Formula | C5H12N2S |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07211 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 2986-22-3 |
|---|---|
| SMILES | CCCCSC(=N)N |
| InChIKey | BPMPPVUBRPXMNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-n-Butylisothiourea (CAS 2986-22-3), with molecular formula C5H12N2S and molecular weight 132.07 g/mol. IUPAC: butyl carbamimidothioate.
Chemical Property Profile of S-n-Butylisothiourea
Property Insights of S-n-Butylisothiourea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-n-Butylisothiourea. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-n-Butylisothiourea. Following Lipinski's Rule of Five, S-n-Butylisothiourea 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-n-Butylisothiourea?
The CAS number of S-n-Butylisothiourea is 2986-22-3.
What is the molecular formula of S-n-Butylisothiourea?
The molecular formula of S-n-Butylisothiourea is C5H12N2S.
What is the molecular weight of S-n-Butylisothiourea?
The molecular weight of S-n-Butylisothiourea is 132.07 g/mol.
Where can I buy S-n-Butylisothiourea?
You can request a quote for S-n-Butylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-n-Butylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-n-Butylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.