1,3-Dithian-2-ylidenecyanamide
TL;DR: 1,3-Dithian-2-ylidenecyanamide (CAS 10191-73-8) is a chemical compound with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithian-2-ylidenecyanamide
Also Known As: 2-Cyanoimino-1,3-dithiane, 1,3-Dithian-2-ylidenecyanamide, N-cyano-2-imino-1,3-dithian, [1,3]dithian-2-ylidene-cyanamide, 1,3-Dithian-2-ylidenecyanamide #
| Molecular Formula | C5H6N2S2 |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.99724 |
| Heavy Atoms | 9 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 10191-73-8 |
|---|---|
| SMILES | C1CSC(=NC#N)SC1 |
| InChIKey | MUGASFZIJZXGFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithian-2-ylidenecyanamide (CAS 10191-73-8), with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol. IUPAC: 1,3-dithian-2-ylidenecyanamide.
Chemical Property Profile of 1,3-Dithian-2-ylidenecyanamide
Property Insights of 1,3-Dithian-2-ylidenecyanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithian-2-ylidenecyanamide. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithian-2-ylidenecyanamide. Following Lipinski's Rule of Five, 1,3-Dithian-2-ylidenecyanamide has 0 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 1,3-Dithian-2-ylidenecyanamide?
The CAS number of 1,3-Dithian-2-ylidenecyanamide is 10191-73-8.
What is the molecular formula of 1,3-Dithian-2-ylidenecyanamide?
The molecular formula of 1,3-Dithian-2-ylidenecyanamide is C5H6N2S2.
What is the molecular weight of 1,3-Dithian-2-ylidenecyanamide?
The molecular weight of 1,3-Dithian-2-ylidenecyanamide is 158.00 g/mol.
Where can I buy 1,3-Dithian-2-ylidenecyanamide?
You can request a quote for 1,3-Dithian-2-ylidenecyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithian-2-ylidenecyanamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithian-2-ylidenecyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.