tert-butyl N-(carbamothioylmethyl)carbamate
TL;DR: tert-butyl N-(carbamothioylmethyl)carbamate (CAS 89226-13-1) is a chemical compound with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-amino-2-sulfanylideneethyl)carbamate
Also Known As: tert-butyl (2-amino-2-thioxoethyl)carbamate, nevirapine, tert-butyl N-(carbamothioylmethyl)carbamate, tert-Butyl 2-amino-2-thioxoethylcarbamate, 2-(Boc-amino)ethanethioamide
| Molecular Formula | C7H14N2O2S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.7972 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.0776 |
| Heavy Atoms | 12 |
| Complexity | 186.33562 |
Chemical Identifiers
| CAS Number | 89226-13-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC(=S)N |
Product Overview
tert-butyl N-(carbamothioylmethyl)carbamate (CAS 89226-13-1), with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol. IUPAC: tert-butyl N-(2-amino-2-sulfanylideneethyl)carbamate.
Chemical Property Profile of tert-butyl N-(carbamothioylmethyl)carbamate
Property Insights of tert-butyl N-(carbamothioylmethyl)carbamate
The XLogP value of 0.7972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(carbamothioylmethyl)carbamate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(carbamothioylmethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(carbamothioylmethyl)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-(carbamothioylmethyl)carbamate?
The CAS number of tert-butyl N-(carbamothioylmethyl)carbamate is 89226-13-1.
What is the molecular formula of tert-butyl N-(carbamothioylmethyl)carbamate?
The molecular formula of tert-butyl N-(carbamothioylmethyl)carbamate is C7H14N2O2S.
What is the molecular weight of tert-butyl N-(carbamothioylmethyl)carbamate?
The molecular weight of tert-butyl N-(carbamothioylmethyl)carbamate is 190.08 g/mol.
Where can I buy tert-butyl N-(carbamothioylmethyl)carbamate?
You can request a quote for tert-butyl N-(carbamothioylmethyl)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-(carbamothioylmethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(carbamothioylmethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.