tert-butyl N-(2-carbamothioylethyl)carbamate
TL;DR: tert-butyl N-(2-carbamothioylethyl)carbamate (CAS 77152-97-7) is a chemical compound with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate
Also Known As: Tert-Butyl N-(3-Amino-3-Thioxopropyl)Carbamate, tert-Butyl 3-amino-3-thioxopropylcarbamate, tert-Butyl (3-amino-3-thioxopropyl)carbamate, tert-butyl N-(2-carbamothioylethyl)carbamate, 3-(Boc-amino)propanethioamide
| Molecular Formula | C8H16N2O2S |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.1873 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.09325 |
| Heavy Atoms | 13 |
| Complexity | 198.81093 |
Chemical Identifiers
| CAS Number | 77152-97-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC(=S)N |
Product Overview
tert-butyl N-(2-carbamothioylethyl)carbamate (CAS 77152-97-7), with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol. IUPAC: tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate.
Chemical Property Profile of tert-butyl N-(2-carbamothioylethyl)carbamate
Property Insights of tert-butyl N-(2-carbamothioylethyl)carbamate
The XLogP value of 1.1873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-carbamothioylethyl)carbamate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(2-carbamothioylethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(2-carbamothioylethyl)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 tert-butyl N-(2-carbamothioylethyl)carbamate?
The CAS number of tert-butyl N-(2-carbamothioylethyl)carbamate is 77152-97-7.
What is the molecular formula of tert-butyl N-(2-carbamothioylethyl)carbamate?
The molecular formula of tert-butyl N-(2-carbamothioylethyl)carbamate is C8H16N2O2S.
What is the molecular weight of tert-butyl N-(2-carbamothioylethyl)carbamate?
The molecular weight of tert-butyl N-(2-carbamothioylethyl)carbamate is 204.09 g/mol.
Where can I buy tert-butyl N-(2-carbamothioylethyl)carbamate?
You can request a quote for tert-butyl N-(2-carbamothioylethyl)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-(2-carbamothioylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-carbamothioylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.