S-Isobutylisothiourea
TL;DR: S-Isobutylisothiourea (CAS 44744-73-2) 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.
2-methylpropyl carbamimidothioate
Also Known As: S-Isobutylisothiourea, 2-Isobutylisothiourea, 2-methylpropyl carbamimidothioate, S-isobutyl-isothiourea, isobutyl carbamimidothioate
| Molecular Formula | C5H12N2S |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07211 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 44744-73-2 |
|---|---|
| SMILES | CC(C)CSC(=N)N |
| InChIKey | MYEMTLRUESEWMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Isobutylisothiourea (CAS 44744-73-2), with molecular formula C5H12N2S and molecular weight 132.07 g/mol. IUPAC: 2-methylpropyl carbamimidothioate.
Chemical Property Profile of S-Isobutylisothiourea
Property Insights of S-Isobutylisothiourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Isobutylisothiourea. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Isobutylisothiourea. Following Lipinski's Rule of Five, S-Isobutylisothiourea 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-Isobutylisothiourea?
The CAS number of S-Isobutylisothiourea is 44744-73-2.
What is the molecular formula of S-Isobutylisothiourea?
The molecular formula of S-Isobutylisothiourea is C5H12N2S.
What is the molecular weight of S-Isobutylisothiourea?
The molecular weight of S-Isobutylisothiourea is 132.07 g/mol.
Where can I buy S-Isobutylisothiourea?
You can request a quote for S-Isobutylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Isobutylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-Isobutylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.