N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide
TL;DR: N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide (CAS 24373-77-1) is a chemical compound with molecular formula C11H13NO3S2 and molecular weight 271.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-(1,1-dioxothiolan-3-yl)carbamothioate
Also Known As: N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide, BAS 00120583, S-phenyl N-(1,1-dioxothiolan-3-yl)carbamothioate, S-phenyl (1,1-dioxidotetrahydro-3-thienyl)thiocarbamate, S-phenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamothioate
| Molecular Formula | C11H13NO3S2 |
|---|---|
| Molecular Weight | 271.03 g/mol |
| LogP | 1.6754 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0337 |
| Heavy Atoms | 17 |
| Complexity | 498.70764 |
Chemical Identifiers
| CAS Number | 24373-77-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)SC2=CC=CC=C2 |
Product Overview
N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide (CAS 24373-77-1), with molecular formula C11H13NO3S2 and molecular weight 271.03 g/mol. IUPAC: S-phenyl N-(1,1-dioxothiolan-3-yl)carbamothioate.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide
Property Insights of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide
The XLogP value of 1.6754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide 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 N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide is 24373-77-1.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide is C11H13NO3S2.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide is 271.03 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.