N-propan-2-yloxycarbothioylbenzamide
TL;DR: N-propan-2-yloxycarbothioylbenzamide (CAS 21406-28-0) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl N-benzoylcarbamothioate
Also Known As: NCIOpen2_003311, N-propan-2-yloxycarbothioylbenzamide, O-isopropyl benzoylcarbamothioate, O-propan-2-yl N-benzoylcarbamothioate, O-(Propan-2-yl) benzoylcarbamothioate
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.1263 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 348.86536 |
Chemical Identifiers
| CAS Number | 21406-28-0 |
|---|---|
| SMILES | CC(C)OC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
N-propan-2-yloxycarbothioylbenzamide (CAS 21406-28-0), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: O-propan-2-yl N-benzoylcarbamothioate.
Chemical Property Profile of N-propan-2-yloxycarbothioylbenzamide
Property Insights of N-propan-2-yloxycarbothioylbenzamide
The XLogP value of 2.1263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-propan-2-yloxycarbothioylbenzamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-propan-2-yloxycarbothioylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-propan-2-yloxycarbothioylbenzamide 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 N-propan-2-yloxycarbothioylbenzamide?
The CAS number of N-propan-2-yloxycarbothioylbenzamide is 21406-28-0.
What is the molecular formula of N-propan-2-yloxycarbothioylbenzamide?
The molecular formula of N-propan-2-yloxycarbothioylbenzamide is C11H13NO2S.
What is the molecular weight of N-propan-2-yloxycarbothioylbenzamide?
The molecular weight of N-propan-2-yloxycarbothioylbenzamide is 223.07 g/mol.
Where can I buy N-propan-2-yloxycarbothioylbenzamide?
You can request a quote for N-propan-2-yloxycarbothioylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-propan-2-yloxycarbothioylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-propan-2-yloxycarbothioylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.