1(S),8(N)-p-Menthyleneisothiourea
TL;DR: 1(S),8(N)-p-Menthyleneisothiourea (CAS 58004-19-6) is a chemical compound with molecular formula C11H20N2S and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,5-trimethyl-2-thia-4-azabicyclo[4.2.2]dec-3-en-3-amine
Also Known As: 1(S),8(N)-p-Menthyleneisothiourea, 1,5,5-Trimethyl-2-thia-4-azabicyclo(4.2.2)decan-3-imine, J1.397.328H, (3z)-1,5,5-trimethyl-2-thia-4-azabicyclo[4.2.2]dec-3-en-3-amine, 1,5,5-Trimethyl-2-thia-4-azabicyclo(4.2.2)dec-3-en-3-amine
| Molecular Formula | C11H20N2S |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.13472 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 58004-19-6 |
|---|---|
| SMILES | CC1(C2CCC(CC2)(SC(=N1)N)C)C |
| InChIKey | ARZRFLIUCWJGRK-UHFFFAOYSA-N |
Product Overview
1(S),8(N)-p-Menthyleneisothiourea (CAS 58004-19-6), with molecular formula C11H20N2S and molecular weight 212.13 g/mol. IUPAC: 1,5,5-trimethyl-2-thia-4-azabicyclo[4.2.2]dec-3-en-3-amine.
Chemical Property Profile of 1(S),8(N)-p-Menthyleneisothiourea
Property Insights of 1(S),8(N)-p-Menthyleneisothiourea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(S),8(N)-p-Menthyleneisothiourea. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(S),8(N)-p-Menthyleneisothiourea. Following Lipinski's Rule of Five, 1(S),8(N)-p-Menthyleneisothiourea has 1 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 1(S),8(N)-p-Menthyleneisothiourea?
The CAS number of 1(S),8(N)-p-Menthyleneisothiourea is 58004-19-6.
What is the molecular formula of 1(S),8(N)-p-Menthyleneisothiourea?
The molecular formula of 1(S),8(N)-p-Menthyleneisothiourea is C11H20N2S.
What is the molecular weight of 1(S),8(N)-p-Menthyleneisothiourea?
The molecular weight of 1(S),8(N)-p-Menthyleneisothiourea is 212.13 g/mol.
Where can I buy 1(S),8(N)-p-Menthyleneisothiourea?
You can request a quote for 1(S),8(N)-p-Menthyleneisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(S),8(N)-p-Menthyleneisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1(S),8(N)-p-Menthyleneisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.