![[5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate structure](/static/products/207/2076-91-7.png)
[5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate
TL;DR: [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate (CAS 2076-91-7) is a chemical compound with molecular formula C8H12N4S3 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate
Also Known As: TPT260, TPU260, NCIOpen2_007575, EX-A647, TPT 260
| Molecular Formula | C8H12N4S3 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.0224 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 2076-91-7 |
|---|---|
| SMILES | C1=C(SC(=C1)CSC(=N)N)CSC(=N)N |
| InChIKey | XGDUNTSTRCLVLN-UHFFFAOYSA-N |
Product Overview
[5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate (CAS 2076-91-7), with molecular formula C8H12N4S3 and molecular weight 260.02 g/mol. IUPAC: [5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate.
Chemical Property Profile of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate
Property Insights of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate. The TPSA of 179.0 Ų indicates high polarity, suggesting [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate has 4 hydrogen bond donor(s) and 5 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 [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate?
The CAS number of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate is 2076-91-7.
What is the molecular formula of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate?
The molecular formula of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate is C8H12N4S3.
What is the molecular weight of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate?
The molecular weight of [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate is 260.02 g/mol.
Where can I buy [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate?
You can request a quote for [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for [5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.