3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide
TL;DR: 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide (CAS 254982-01-9) is a chemical compound with molecular formula C12H10ClNO2S3 and molecular weight 330.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carbothioamide
Also Known As: 3-((4-chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide, 3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carbothioamide, Thiophene-2-carbothioamide, 3-(4-chlorophenylsulfonylmethyl)-, 3-([(4-Chlorophenyl)sulfonyl]methyl)-2-thiophenecarbothioamide #
| Molecular Formula | C12H10ClNO2S3 |
|---|---|
| Molecular Weight | 330.96 g/mol |
| LogP | 3.0096 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.9562 |
| Heavy Atoms | 19 |
| Complexity | 704.8306 |
Chemical Identifiers
| CAS Number | 254982-01-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC2=C(SC=C2)C(=S)N)Cl |
Product Overview
3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide (CAS 254982-01-9), with molecular formula C12H10ClNO2S3 and molecular weight 330.96 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carbothioamide.
Chemical Property Profile of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide
Property Insights of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide
The XLogP value of 3.0096 indicates that 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide. Following Lipinski's Rule of Five, 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide has 1 hydrogen bond donor(s) and 4 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-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide?
The CAS number of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide is 254982-01-9.
What is the molecular formula of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide?
The molecular formula of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide is C12H10ClNO2S3.
What is the molecular weight of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide?
The molecular weight of 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide is 330.96 g/mol.
Where can I buy 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide?
You can request a quote for 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorophenylsulfonyl)methyl)thiophene-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.