tert-Butyl N-(6-isothiocyanatohexyl)carbamate
TL;DR: tert-Butyl N-(6-isothiocyanatohexyl)carbamate (CAS 347890-44-2) is a chemical compound with molecular formula C12H22N2O2S and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(6-isothiocyanatohexyl)carbamate
Also Known As: Boc-6-isothiocyanatohexylamine, tert-Butyl N-(6-isothiocyanatohexyl)carbamate, N-Boc-6-isothiocyanatohexylamine, tert-Butyl (6-isothiocyanatohexyl)carbamate, Carbamic acid,N-(6-isothiocyanatohexyl)-, 1,1-dimethylethyl ester
| Molecular Formula | C12H22N2O2S |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 3.1743 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.1402 |
| Heavy Atoms | 17 |
| Complexity | 268.16943 |
Chemical Identifiers
| CAS Number | 347890-44-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCCCN=C=S |
Product Overview
tert-Butyl N-(6-isothiocyanatohexyl)carbamate (CAS 347890-44-2), with molecular formula C12H22N2O2S and molecular weight 258.14 g/mol. IUPAC: tert-butyl N-(6-isothiocyanatohexyl)carbamate.
Chemical Property Profile of tert-Butyl N-(6-isothiocyanatohexyl)carbamate
Property Insights of tert-Butyl N-(6-isothiocyanatohexyl)carbamate
The XLogP value of 3.1743 indicates that tert-Butyl N-(6-isothiocyanatohexyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, tert-Butyl N-(6-isothiocyanatohexyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl N-(6-isothiocyanatohexyl)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-(6-isothiocyanatohexyl)carbamate?
The CAS number of tert-Butyl N-(6-isothiocyanatohexyl)carbamate is 347890-44-2.
What is the molecular formula of tert-Butyl N-(6-isothiocyanatohexyl)carbamate?
The molecular formula of tert-Butyl N-(6-isothiocyanatohexyl)carbamate is C12H22N2O2S.
What is the molecular weight of tert-Butyl N-(6-isothiocyanatohexyl)carbamate?
The molecular weight of tert-Butyl N-(6-isothiocyanatohexyl)carbamate is 258.14 g/mol.
Where can I buy tert-Butyl N-(6-isothiocyanatohexyl)carbamate?
You can request a quote for tert-Butyl N-(6-isothiocyanatohexyl)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-(6-isothiocyanatohexyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-(6-isothiocyanatohexyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.