Butan-2-yl carbamimidothioate
TL;DR: Butan-2-yl carbamimidothioate (CAS 6326-37-0) 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.
butan-2-yl carbamimidothioate
Also Known As: butan-2-yl carbamimidothioate, Carbamimidothioic acid,1-methylpropyl ester, monohydrobromide (9CI)
| 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 | 82.0 |
Chemical Identifiers
| CAS Number | 6326-37-0 |
|---|---|
| SMILES | CCC(C)SC(=N)N |
| InChIKey | KNHNBKNSSNHIIW-UHFFFAOYSA-N |
Product Overview
Butan-2-yl carbamimidothioate (CAS 6326-37-0), with molecular formula C5H12N2S and molecular weight 132.07 g/mol. IUPAC: butan-2-yl carbamimidothioate.
Chemical Property Profile of Butan-2-yl carbamimidothioate
Property Insights of Butan-2-yl carbamimidothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl carbamimidothioate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-yl carbamimidothioate. Following Lipinski's Rule of Five, Butan-2-yl 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 Butan-2-yl carbamimidothioate?
The CAS number of Butan-2-yl carbamimidothioate is 6326-37-0.
What is the molecular formula of Butan-2-yl carbamimidothioate?
The molecular formula of Butan-2-yl carbamimidothioate is C5H12N2S.
What is the molecular weight of Butan-2-yl carbamimidothioate?
The molecular weight of Butan-2-yl carbamimidothioate is 132.07 g/mol.
Where can I buy Butan-2-yl carbamimidothioate?
You can request a quote for Butan-2-yl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.