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2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-
TL;DR: 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- (CAS 31664-91-2) is a chemical compound with molecular formula C13H19NS2 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexyliminomethyl)-5-ethylthiophene-2-thiol
Also Known As: 2-mercapto-5-ethyl-3-thenylidenecyclohexylamine, 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-, 3-[(cyclohexylamino)methylidene]-5-ethylthiophene-2-thione, 3-[(cyclohexylamino)methylidene]-5-ethyl-thiophene-2-thione, 3-[(Cyclohexylamino)methylidene]-5-ethylthiophene-2(3H)-thione
| Molecular Formula | C13H19NS2 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 4.3508 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.09589 |
| Heavy Atoms | 16 |
| Complexity | 362.00955 |
Chemical Identifiers
| CAS Number | 31664-91-2 |
|---|---|
| SMILES | CCC1=CC(=C(S1)S)C=NC2CCCCC2 |
Product Overview
2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- (CAS 31664-91-2), with molecular formula C13H19NS2 and molecular weight 253.10 g/mol. IUPAC: 3-(cyclohexyliminomethyl)-5-ethylthiophene-2-thiol.
Chemical Property Profile of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-
Property Insights of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-
The XLogP value of 4.3508 indicates that 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- has 1 hydrogen bond donor(s) and 3 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-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-?
The CAS number of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- is 31664-91-2.
What is the molecular formula of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-?
The molecular formula of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- is C13H19NS2.
What is the molecular weight of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-?
The molecular weight of 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- is 253.10 g/mol.
Where can I buy 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-?
You can request a quote for 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenethiol, 3-[(cyclohexylimino)methyl]-5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.