Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)
TL;DR: Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) (CAS 3139-42-2) is a chemical compound with molecular formula C11H17N3S3 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;dimethylcarbamodithioic acid
Also Known As: dimethylcarbamodithioic acid- benzyl carbamimidothioate(1:1), S-benzyl-isothiourea,dimethyl dithiocarbamate, benzyl carbamimidothioate,dimethylcarbamodithioic acid, benzyl carbamimidothioate; dimethylcarbamodithioic acid, Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)
| Molecular Formula | C11H17N3S3 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.57597 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.05847 |
| Heavy Atoms | 17 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3139-42-2 |
|---|---|
| SMILES | CN(C)C(=S)S.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | FCCSWEMLDIIZTG-UHFFFAOYSA-N |
Product Overview
Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) (CAS 3139-42-2), with molecular formula C11H17N3S3 and molecular weight 287.06 g/mol. IUPAC: benzyl carbamimidothioate;dimethylcarbamodithioic acid.
Chemical Property Profile of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)
Property Insights of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)
The XLogP value of 2.57597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1). The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1). Following Lipinski's Rule of Five, Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) has 3 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 Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)?
The CAS number of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) is 3139-42-2.
What is the molecular formula of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)?
The molecular formula of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) is C11H17N3S3.
What is the molecular weight of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)?
The molecular weight of Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) is 287.06 g/mol.
Where can I buy Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)?
You can request a quote for Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for Dimethylcarbamodithioic acid-benzyl carbamimidothioate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.