![1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) structure](/static/products/6739/67392-14-7.webp)
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)
TL;DR: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) (CAS 67392-14-7) is a chemical compound with molecular formula C18H28N2O3S2 and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate
Also Known As: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1), 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL IMIDOTHIOCARBAMATE 4-METHYLBENZENESULFONATE, 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl carbamimidothioate 4-methylbenzenesulfonate, 4-methylbenzenesulfonic acid; (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate, 4-Methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate
| Molecular Formula | C18H28N2O3S2 |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 4.06959 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.15414 |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 67392-14-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(C2)SC(=N)N)C)C |
| InChIKey | KCFCMMLCGGDCLE-UHFFFAOYSA-N |
Product Overview
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) (CAS 67392-14-7), with molecular formula C18H28N2O3S2 and molecular weight 384.15 g/mol. IUPAC: 4-methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate.
Chemical Property Profile of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)
Property Insights of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)
The XLogP value of 4.06959 indicates that 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1). Following Lipinski's Rule of Five, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) has 3 hydrogen bond donor(s) and 5 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 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The CAS number of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) is 67392-14-7.
What is the molecular formula of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The molecular formula of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) is C18H28N2O3S2.
What is the molecular weight of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The molecular weight of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) is 384.15 g/mol.
Where can I buy 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
You can request a quote for 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl carbamimidothioate 4-methylbenzenesulfonate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.