(4-tert-Butylcyclohexylidene)(cyano)ethanethioamide
TL;DR: (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide (CAS 893754-25-1) is a chemical compound with molecular formula C13H20N2S and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylcyclohexylidene)-2-cyanoethanethioamide
Also Known As: J2.916.760E, 2-(4-tert-Butylcyclohexylidene)-2-cyanothioacetamide, 2-(4-tert-butylcyclohexylidene)-2-cyanoethanethioamide, (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide, 2-cyano-2-(4-tert-butylcyclohexylidene)ethanethioamide
| Molecular Formula | C13H20N2S |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 3.32898 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.13472 |
| Heavy Atoms | 16 |
| Complexity | 345.10934 |
Chemical Identifiers
| CAS Number | 893754-25-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=C(C#N)C(=S)N)CC1 |
Product Overview
(4-tert-Butylcyclohexylidene)(cyano)ethanethioamide (CAS 893754-25-1), with molecular formula C13H20N2S and molecular weight 236.13 g/mol. IUPAC: 2-(4-tert-butylcyclohexylidene)-2-cyanoethanethioamide.
Chemical Property Profile of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide
Property Insights of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide
The XLogP value of 3.32898 indicates that (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide 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 (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide?
The CAS number of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide is 893754-25-1.
What is the molecular formula of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide?
The molecular formula of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide is C13H20N2S.
What is the molecular weight of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide?
The molecular weight of (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide is 236.13 g/mol.
Where can I buy (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide?
You can request a quote for (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for (4-tert-Butylcyclohexylidene)(cyano)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.