![3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide structure](/static/products/884/88439-46-7.png)
3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 88439-46-7) is a chemical compound with molecular formula C17H13ClN2OS2 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AN-329/40387560, 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide, Cyclopropanemethanol,2,2-dichloro-3,3-dimethyl-,methanesulfonate, 3-(3-Chloro-benzo[b]thiophene-2-carbonyl)-1-methyl-1-phenyl-thiourea, N'-[(3-chloro-1-benzothien-2-yl)carbonyl]-N-methyl-N-phenylthiourea
| Molecular Formula | C17H13ClN2OS2 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 4.7058 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.01578 |
| Heavy Atoms | 23 |
| Complexity | 876.69055 |
Chemical Identifiers
| CAS Number | 88439-46-7 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide (CAS 88439-46-7), with molecular formula C17H13ClN2OS2 and molecular weight 360.02 g/mol. IUPAC: 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
The XLogP value of 4.7058 indicates that 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide 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 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide is 88439-46-7.
What is the molecular formula of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide is C17H13ClN2OS2.
What is the molecular weight of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide is 360.02 g/mol.
Where can I buy 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[methyl(phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.