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Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate
TL;DR: Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate (CAS 13399-88-7) is a chemical compound with molecular formula C10H10ClNO2S2 and molecular weight 274.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate
Also Known As: Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate, methyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate
| Molecular Formula | C10H10ClNO2S2 |
|---|---|
| Molecular Weight | 274.98 g/mol |
| LogP | 2.943 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.98416 |
| Heavy Atoms | 16 |
| Complexity | 380.91034 |
Chemical Identifiers
| CAS Number | 13399-88-7 |
|---|---|
| SMILES | COC(=O)CSC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate (CAS 13399-88-7), with molecular formula C10H10ClNO2S2 and molecular weight 274.98 g/mol. IUPAC: methyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate.
Chemical Property Profile of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate
Property Insights of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate
The XLogP value of 2.943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate 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 Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate?
The CAS number of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate is 13399-88-7.
What is the molecular formula of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate?
The molecular formula of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate is C10H10ClNO2S2.
What is the molecular weight of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate?
The molecular weight of Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate is 274.98 g/mol.
Where can I buy Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate?
You can request a quote for Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[(4-chlorophenyl)carbamothioyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.