tert-Butyl N-(5-isothiocyanatopentyl)carbamate
TL;DR: tert-Butyl N-(5-isothiocyanatopentyl)carbamate (CAS 600134-66-5) is a chemical compound with molecular formula C11H20N2O2S and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(5-isothiocyanatopentyl)carbamate
Also Known As: Boc-5-isothiocyanatopentylamine, tert-Butyl N-(5-isothiocyanatopentyl)carbamate, N-Boc-5-isothiocyanatopentylamine, TERT-BUTYLN- CARBAMATE, tert-Butyl (5-isothiocyanatopentyl)carbamate
| Molecular Formula | C11H20N2O2S |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.7842 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.12454 |
| Heavy Atoms | 16 |
| Complexity | 255.20041 |
Chemical Identifiers
| CAS Number | 600134-66-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCCN=C=S |
Product Overview
tert-Butyl N-(5-isothiocyanatopentyl)carbamate (CAS 600134-66-5), with molecular formula C11H20N2O2S and molecular weight 244.12 g/mol. IUPAC: tert-butyl N-(5-isothiocyanatopentyl)carbamate.
Chemical Property Profile of tert-Butyl N-(5-isothiocyanatopentyl)carbamate
Property Insights of tert-Butyl N-(5-isothiocyanatopentyl)carbamate
The XLogP value of 2.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl N-(5-isothiocyanatopentyl)carbamate. With a topological polar surface area (TPSA) of 50.69 Ų, tert-Butyl N-(5-isothiocyanatopentyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl N-(5-isothiocyanatopentyl)carbamate 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 tert-Butyl N-(5-isothiocyanatopentyl)carbamate?
The CAS number of tert-Butyl N-(5-isothiocyanatopentyl)carbamate is 600134-66-5.
What is the molecular formula of tert-Butyl N-(5-isothiocyanatopentyl)carbamate?
The molecular formula of tert-Butyl N-(5-isothiocyanatopentyl)carbamate is C11H20N2O2S.
What is the molecular weight of tert-Butyl N-(5-isothiocyanatopentyl)carbamate?
The molecular weight of tert-Butyl N-(5-isothiocyanatopentyl)carbamate is 244.12 g/mol.
Where can I buy tert-Butyl N-(5-isothiocyanatopentyl)carbamate?
You can request a quote for tert-Butyl N-(5-isothiocyanatopentyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl N-(5-isothiocyanatopentyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-(5-isothiocyanatopentyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.