1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)
TL;DR: 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) (CAS 41244-56-8) is a chemical compound with molecular formula C14H6Cl2N2S3 and molecular weight 367.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfanyl-4-isothiocyanatobenzene
Also Known As: KST-1B4082, 1,1'-sulfanediylbis(2-chloro-4-isothiocyanatobenzene), Benzene,1,1-thiobis[2-chloro-4-isothiocyanato-(9ci), Benzene,1,1'-thiobis[2-chloro-4-isothiocyanato- (9CI), 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfanyl-4-isoth
| Molecular Formula | C14H6Cl2N2S3 |
|---|---|
| Molecular Weight | 367.91 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.907 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 41244-56-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)Cl)SC2=C(C=C(C=C2)N=C=S)Cl |
| InChIKey | UHHDNEGHBOGHHS-UHFFFAOYSA-N |
Product Overview
1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) (CAS 41244-56-8), with molecular formula C14H6Cl2N2S3 and molecular weight 367.91 g/mol. IUPAC: 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfanyl-4-isothiocyanatobenzene.
Chemical Property Profile of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)
Property Insights of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)
The XLogP value of 8.0 indicates that 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene). Following Lipinski's Rule of Five, 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)?
The CAS number of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) is 41244-56-8.
What is the molecular formula of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)?
The molecular formula of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) is C14H6Cl2N2S3.
What is the molecular weight of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)?
The molecular weight of 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) is 367.91 g/mol.
Where can I buy 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)?
You can request a quote for 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfanediylbis(2-chloro-4-isothiocyanatobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.