Heptyl carbamimidothioate
TL;DR: Heptyl carbamimidothioate (CAS 44996-93-2) is a chemical compound with molecular formula C8H18N2S and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl carbamimidothioate
Also Known As: heptyl carbamimidothioate, 2-Heptylisothiourea, S-Heptyl-isothioharnstoff, Heptylsulfanylmethanimidamide, (heptylsulfanyl)methanimidamide
| Molecular Formula | C8H18N2S |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.11906 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 44996-93-2 |
|---|---|
| SMILES | CCCCCCCSC(=N)N |
| InChIKey | HCNAJTACWLAWAR-UHFFFAOYSA-N |
Product Overview
Heptyl carbamimidothioate (CAS 44996-93-2), with molecular formula C8H18N2S and molecular weight 174.12 g/mol. IUPAC: heptyl carbamimidothioate.
Chemical Property Profile of Heptyl carbamimidothioate
Property Insights of Heptyl carbamimidothioate
The XLogP value of 3.0 indicates that Heptyl carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptyl carbamimidothioate. Following Lipinski's Rule of Five, Heptyl 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 Heptyl carbamimidothioate?
The CAS number of Heptyl carbamimidothioate is 44996-93-2.
What is the molecular formula of Heptyl carbamimidothioate?
The molecular formula of Heptyl carbamimidothioate is C8H18N2S.
What is the molecular weight of Heptyl carbamimidothioate?
The molecular weight of Heptyl carbamimidothioate is 174.12 g/mol.
Where can I buy Heptyl carbamimidothioate?
You can request a quote for Heptyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.