![N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide structure](/static/products/1788/178870-33-2.webp)
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide
TL;DR: N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide (CAS 178870-33-2) is a chemical compound with molecular formula C17H18ClNOS2 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide
Also Known As: UC 82, Thiophenecarbothioanilide deriv., UC82, NCI60_026595, N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide
| Molecular Formula | C17H18ClNOS2 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 5.84252 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.05185 |
| Heavy Atoms | 22 |
| Complexity | 702.4346 |
Chemical Identifiers
| CAS Number | 178870-33-2 |
|---|---|
| SMILES | CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C |
Product Overview
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide (CAS 178870-33-2), with molecular formula C17H18ClNOS2 and molecular weight 351.05 g/mol. IUPAC: N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide.
Chemical Property Profile of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide
Property Insights of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide
The XLogP value of 5.84252 indicates that N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide?
The CAS number of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide is 178870-33-2.
What is the molecular formula of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide?
The molecular formula of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide is C17H18ClNOS2.
What is the molecular weight of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide?
The molecular weight of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide is 351.05 g/mol.
Where can I buy N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide?
You can request a quote for N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.