异硫氰酸-s-菲啶酯
TL;DR: 异硫氰酸-s-菲啶酯 (CAS 101670-67-1) is a chemical compound with molecular formula C9H3N3S3 and molecular weight 248.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异硫氰酸-s-菲啶酯
1,3,5-triisothiocyanatobenzene
Also Known As: 1,3,5-Triisothiocyanatobenzene, ISOTHIOCYANIC ACID, s-PHENENYL ESTER, Isothiocyanic acid, s-phenenyl triester, 1,3,5-Trithioisocyanobenzene, Benzene,1,3,5-triisothiocyanato-
| Molecular Formula | C9H3N3S3 |
|---|---|
| Molecular Weight | 248.95 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.94891 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 101670-67-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1N=C=S)N=C=S)N=C=S |
| InChIKey | LLJPDGVAIMDGFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异硫氰酸-s-菲啶酯 (CAS 101670-67-1), with molecular formula C9H3N3S3 and molecular weight 248.95 g/mol. IUPAC: 1,3,5-triisothiocyanatobenzene.
Chemical Property Profile of 异硫氰酸-s-菲啶酯
Property Insights of 异硫氰酸-s-菲啶酯
The XLogP value of 6.1 indicates that 异硫氰酸-s-菲啶酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异硫氰酸-s-菲啶酯. Following Lipinski's Rule of Five, 异硫氰酸-s-菲啶酯 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异硫氰酸-s-菲啶酯?
The CAS number of 异硫氰酸-s-菲啶酯 is 101670-67-1.
What is the molecular formula of 异硫氰酸-s-菲啶酯?
The molecular formula of 异硫氰酸-s-菲啶酯 is C9H3N3S3.
What is the molecular weight of 异硫氰酸-s-菲啶酯?
The molecular weight of 异硫氰酸-s-菲啶酯 is 248.95 g/mol.
Where can I buy 异硫氰酸-s-菲啶酯?
You can request a quote for 异硫氰酸-s-菲啶酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异硫氰酸-s-菲啶酯?
Yes, KEHONG BIO provides custom synthesis services for 异硫氰酸-s-菲啶酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.