2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)
TL;DR: 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) (CAS 61455-18-3) is a chemical compound with molecular formula C14H22N2O4S2 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxycyclohexyl) carbamimidothioate;4-methylbenzenesulfonic acid
Also Known As: 2-hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1), (2-hydroxycyclohexyl) carbamimidothioate,4-methylbenzenesulfonic acid, (2-hydroxycyclohexyl) carbamimidothioate; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--2-hydroxycyclohexyl carbamimidothioate (1/1), 2-[methyl(propan-2-yl)amino]propyl cyclohex-2-en-1-yl(phenyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
| Molecular Formula | C14H22N2O4S2 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.15829 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1021 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 61455-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C(C1)O)SC(=N)N |
| InChIKey | SLZZMNRCXUDTJQ-UHFFFAOYSA-N |
Product Overview
2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) (CAS 61455-18-3), with molecular formula C14H22N2O4S2 and molecular weight 346.10 g/mol. IUPAC: (2-hydroxycyclohexyl) carbamimidothioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)
Property Insights of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)
The XLogP value of 2.15829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1). The TPSA of 158.0 Ų indicates high polarity, suggesting 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) has 4 hydrogen bond donor(s) and 6 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 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The CAS number of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) is 61455-18-3.
What is the molecular formula of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The molecular formula of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) is C14H22N2O4S2.
What is the molecular weight of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
The molecular weight of 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) is 346.10 g/mol.
Where can I buy 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
You can request a quote for 2-Hydroxycyclohexyl 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 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxycyclohexyl carbamimidothioate 4-methylbenzenesulfonate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.