N-Boc-2-isothiocyanatoethylamine
TL;DR: N-Boc-2-isothiocyanatoethylamine (CAS 137743-46-5) is a chemical compound with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-isothiocyanatoethyl)carbamate
Also Known As: N-Boc-2-isothiocyanatoethylamine, BOC-2-ISOTHIOCYANATOETHYLAMINE, tert-Butyl N-(2-isothiocyanatoethyl)carbamate, TERT-BUTYLN- CARBAMATE, tert-butyl (2-isothiocyanatoethyl)carbamate
| Molecular Formula | C8H14N2O2S |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 1.6139 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.0776 |
| Heavy Atoms | 13 |
| Complexity | 216.67415 |
Chemical Identifiers
| CAS Number | 137743-46-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCN=C=S |
Product Overview
N-Boc-2-isothiocyanatoethylamine (CAS 137743-46-5), with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol. IUPAC: tert-butyl N-(2-isothiocyanatoethyl)carbamate.
Chemical Property Profile of N-Boc-2-isothiocyanatoethylamine
Property Insights of N-Boc-2-isothiocyanatoethylamine
The XLogP value of 1.6139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-2-isothiocyanatoethylamine. With a topological polar surface area (TPSA) of 50.69 Ų, N-Boc-2-isothiocyanatoethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Boc-2-isothiocyanatoethylamine 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-Boc-2-isothiocyanatoethylamine?
The CAS number of N-Boc-2-isothiocyanatoethylamine is 137743-46-5.
What is the molecular formula of N-Boc-2-isothiocyanatoethylamine?
The molecular formula of N-Boc-2-isothiocyanatoethylamine is C8H14N2O2S.
What is the molecular weight of N-Boc-2-isothiocyanatoethylamine?
The molecular weight of N-Boc-2-isothiocyanatoethylamine is 202.08 g/mol.
Where can I buy N-Boc-2-isothiocyanatoethylamine?
You can request a quote for N-Boc-2-isothiocyanatoethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-2-isothiocyanatoethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-2-isothiocyanatoethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.