Tert-butyl carbamimidothioate
TL;DR: Tert-butyl carbamimidothioate (CAS 926-07-8) 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.
tert-butyl carbamimidothioate
Also Known As: S-tert-butyl-isothiourea, tert-butyl carbamimidothioate, 2-tert-Butylisothiourea, tert-Butylthioformamidine, 2-tert-Butyl-isothiourea
| Molecular Formula | C5H12N2S |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.41157 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07211 |
| Heavy Atoms | 8 |
| Complexity | 93.09202 |
Chemical Identifiers
| CAS Number | 926-07-8 |
|---|---|
| SMILES | CC(C)(C)SC(=N)N |
Product Overview
Tert-butyl carbamimidothioate (CAS 926-07-8), with molecular formula C5H12N2S and molecular weight 132.07 g/mol. IUPAC: tert-butyl carbamimidothioate.
Chemical Property Profile of Tert-butyl carbamimidothioate
Property Insights of Tert-butyl carbamimidothioate
The XLogP value of 1.41157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, Tert-butyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl carbamimidothioate 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 Tert-butyl carbamimidothioate?
The CAS number of Tert-butyl carbamimidothioate is 926-07-8.
What is the molecular formula of Tert-butyl carbamimidothioate?
The molecular formula of Tert-butyl carbamimidothioate is C5H12N2S.
What is the molecular weight of Tert-butyl carbamimidothioate?
The molecular weight of Tert-butyl carbamimidothioate is 132.07 g/mol.
Where can I buy Tert-butyl carbamimidothioate?
You can request a quote for Tert-butyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.