Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate
TL;DR: Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate (CAS 77152-98-8) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-amino-3-sulfanylidenepropyl)carbamate
Also Known As: benzyl (3-amino-3-thioxopropyl)carbamate, Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester, Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate, Benzyl (3-amino-3-sulfanylidenepropyl)carbamate, benzyl N-(3-amino-3-sulfanylidenepropyl)carbamate
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.589 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 354.26202 |
Chemical Identifiers
| CAS Number | 77152-98-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=S)N |
Product Overview
Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate (CAS 77152-98-8), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: benzyl N-(3-amino-3-sulfanylidenepropyl)carbamate.
Chemical Property Profile of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate
Property Insights of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate
The XLogP value of 1.589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate. Following Lipinski's Rule of Five, Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate has 2 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 Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate?
The CAS number of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate is 77152-98-8.
What is the molecular formula of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate?
The molecular formula of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate is C11H14N2O2S.
What is the molecular weight of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate?
The molecular weight of Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate is 238.08 g/mol.
Where can I buy Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate?
You can request a quote for Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.