tert-Butyl N-(4-isothiocyanatobutyl)carbamate
TL;DR: tert-Butyl N-(4-isothiocyanatobutyl)carbamate (CAS 247035-47-8) is a chemical compound with molecular formula C10H18N2O2S and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-isothiocyanatobutyl)carbamate
Also Known As: N-Boc-4-isothiocyanatobutylamine, tert-Butyl N-(4-isothiocyanatobutyl)carbamate, tert-Butyl (4-isothiocyanatobutyl)carbamate, Boc-4-aminobutyl isothiocyanate, TERT-BUTYLN- CARBAMATE
| Molecular Formula | C10H18N2O2S |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.3941 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.1089 |
| Heavy Atoms | 15 |
| Complexity | 242.29716 |
Chemical Identifiers
| CAS Number | 247035-47-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCN=C=S |
Product Overview
tert-Butyl N-(4-isothiocyanatobutyl)carbamate (CAS 247035-47-8), with molecular formula C10H18N2O2S and molecular weight 230.11 g/mol. IUPAC: tert-butyl N-(4-isothiocyanatobutyl)carbamate.
Chemical Property Profile of tert-Butyl N-(4-isothiocyanatobutyl)carbamate
Property Insights of tert-Butyl N-(4-isothiocyanatobutyl)carbamate
The XLogP value of 2.3941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl N-(4-isothiocyanatobutyl)carbamate. With a topological polar surface area (TPSA) of 50.69 Ų, tert-Butyl N-(4-isothiocyanatobutyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl N-(4-isothiocyanatobutyl)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-(4-isothiocyanatobutyl)carbamate?
The CAS number of tert-Butyl N-(4-isothiocyanatobutyl)carbamate is 247035-47-8.
What is the molecular formula of tert-Butyl N-(4-isothiocyanatobutyl)carbamate?
The molecular formula of tert-Butyl N-(4-isothiocyanatobutyl)carbamate is C10H18N2O2S.
What is the molecular weight of tert-Butyl N-(4-isothiocyanatobutyl)carbamate?
The molecular weight of tert-Butyl N-(4-isothiocyanatobutyl)carbamate is 230.11 g/mol.
Where can I buy tert-Butyl N-(4-isothiocyanatobutyl)carbamate?
You can request a quote for tert-Butyl N-(4-isothiocyanatobutyl)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-(4-isothiocyanatobutyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-(4-isothiocyanatobutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.