2,4'-二异氰酸酯二苯基硫醚
TL;DR: 2,4'-二异氰酸酯二苯基硫醚 (CAS 75790-87-3) is a chemical compound with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4'-二异氰酸酯二苯基硫醚
1-isocyanato-2-(4-isocyanatophenyl)sulfanylbenzene
Also Known As: 2,4'-DIISOCYANATODIPHENYL SULFIDE, o-((p-Isocyanatophenyl)thio)phenyl isocyanate, 2,4'-DIPHENYL SULFIDE DIISOCYANATE, O-[(P-ISOCYANATOPHENYL)THIO]PHENYL ISOCYANATE, Benzene, 1-isocyanato-2-((4-isocyanatophenyl)thio)-
| Molecular Formula | C14H8N2O2S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.03064 |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 75790-87-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C=O)SC2=CC=C(C=C2)N=C=O |
| InChIKey | QEROATAKCLNWHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4'-二异氰酸酯二苯基硫醚 (CAS 75790-87-3), with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol. IUPAC: 1-isocyanato-2-(4-isocyanatophenyl)sulfanylbenzene.
Chemical Property Profile of 2,4'-二异氰酸酯二苯基硫醚
Property Insights of 2,4'-二异氰酸酯二苯基硫醚
The XLogP value of 5.6 indicates that 2,4'-二异氰酸酯二苯基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4'-二异氰酸酯二苯基硫醚. Following Lipinski's Rule of Five, 2,4'-二异氰酸酯二苯基硫醚 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 2,4'-二异氰酸酯二苯基硫醚?
The CAS number of 2,4'-二异氰酸酯二苯基硫醚 is 75790-87-3.
What is the molecular formula of 2,4'-二异氰酸酯二苯基硫醚?
The molecular formula of 2,4'-二异氰酸酯二苯基硫醚 is C14H8N2O2S.
What is the molecular weight of 2,4'-二异氰酸酯二苯基硫醚?
The molecular weight of 2,4'-二异氰酸酯二苯基硫醚 is 268.03 g/mol.
Where can I buy 2,4'-二异氰酸酯二苯基硫醚?
You can request a quote for 2,4'-二异氰酸酯二苯基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4'-二异氰酸酯二苯基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 2,4'-二异氰酸酯二苯基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.