methyl N-(2-thienylmethyl)carbamodithioate
TL;DR: methyl N-(2-thienylmethyl)carbamodithioate (CAS 328288-84-2) is a chemical compound with molecular formula C7H9NS3 and molecular weight 202.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(thiophen-2-ylmethyl)carbamodithioate
Also Known As: methyl N-(2-thienylmethyl)carbamodithioate, TimTec1_004790, methyl N-(thiophen-2-ylmethyl)carbamodithioate, N-[(thiophen-2-yl)methyl](methylsulfanyl)carbothioamide
| Molecular Formula | C7H9NS3 |
|---|---|
| Molecular Weight | 202.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.98972 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 328288-84-2 |
|---|---|
| SMILES | CSC(=S)NCC1=CC=CS1 |
| InChIKey | OKQRLICNBQOAJD-UHFFFAOYSA-N |
Product Overview
methyl N-(2-thienylmethyl)carbamodithioate (CAS 328288-84-2), with molecular formula C7H9NS3 and molecular weight 202.99 g/mol. IUPAC: methyl N-(thiophen-2-ylmethyl)carbamodithioate.
Chemical Property Profile of methyl N-(2-thienylmethyl)carbamodithioate
Property Insights of methyl N-(2-thienylmethyl)carbamodithioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2-thienylmethyl)carbamodithioate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(2-thienylmethyl)carbamodithioate. Following Lipinski's Rule of Five, methyl N-(2-thienylmethyl)carbamodithioate has 1 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 methyl N-(2-thienylmethyl)carbamodithioate?
The CAS number of methyl N-(2-thienylmethyl)carbamodithioate is 328288-84-2.
What is the molecular formula of methyl N-(2-thienylmethyl)carbamodithioate?
The molecular formula of methyl N-(2-thienylmethyl)carbamodithioate is C7H9NS3.
What is the molecular weight of methyl N-(2-thienylmethyl)carbamodithioate?
The molecular weight of methyl N-(2-thienylmethyl)carbamodithioate is 202.99 g/mol.
Where can I buy methyl N-(2-thienylmethyl)carbamodithioate?
You can request a quote for methyl N-(2-thienylmethyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2-thienylmethyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2-thienylmethyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.