Butane-1,4-diyl bis(thiocyanate)
TL;DR: Butane-1,4-diyl bis(thiocyanate) (CAS 7346-35-2) is a chemical compound with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-thiocyanatobutyl thiocyanate
Also Known As: 4-thiocyanatobutyl thiocyanate, Tetramethylenebisthiocyanate, 1,4-bis(thiocyanato)butane, Butane-1,4-diyl bis(thiocyanate), TETRAMETHYLENE DITHIOCYANATE
| Molecular Formula | C6H8N2S2 |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.0129 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 7346-35-2 |
|---|---|
| SMILES | C(CCSC#N)CSC#N |
| InChIKey | SDOXAONWZOPJRB-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl bis(thiocyanate) (CAS 7346-35-2), with molecular formula C6H8N2S2 and molecular weight 172.01 g/mol. IUPAC: 4-thiocyanatobutyl thiocyanate.
Chemical Property Profile of Butane-1,4-diyl bis(thiocyanate)
Property Insights of Butane-1,4-diyl bis(thiocyanate)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diyl bis(thiocyanate). The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diyl bis(thiocyanate). Following Lipinski's Rule of Five, Butane-1,4-diyl bis(thiocyanate) 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 Butane-1,4-diyl bis(thiocyanate)?
The CAS number of Butane-1,4-diyl bis(thiocyanate) is 7346-35-2.
What is the molecular formula of Butane-1,4-diyl bis(thiocyanate)?
The molecular formula of Butane-1,4-diyl bis(thiocyanate) is C6H8N2S2.
What is the molecular weight of Butane-1,4-diyl bis(thiocyanate)?
The molecular weight of Butane-1,4-diyl bis(thiocyanate) is 172.01 g/mol.
Where can I buy Butane-1,4-diyl bis(thiocyanate)?
You can request a quote for Butane-1,4-diyl bis(thiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diyl bis(thiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(thiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.