异硫氰酸
TL;DR: 异硫氰酸 (CAS 3129-90-6) is a chemical compound with molecular formula CHNS and molecular weight 58.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异硫氰酸
isothiocyanic acid
Also Known As: ISOTHIOCYANIC ACID, Isothiocyanate, Isothiocyansaeure, Parathiocyanogen, Isothiozyansaeure
| Molecular Formula | CHNS |
|---|---|
| Molecular Weight | 58.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 58.98297 |
| Heavy Atoms | 3 |
| Complexity | 27.0 |
Chemical Identifiers
| CAS Number | 3129-90-6 |
|---|---|
| SMILES | C(=N)=S |
| InChIKey | GRHBQAYDJPGGLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异硫氰酸 (CAS 3129-90-6), with molecular formula CHNS and molecular weight 58.98 g/mol. IUPAC: isothiocyanic acid.
Chemical Property Profile of 异硫氰酸
Property Insights of 异硫氰酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异硫氰酸. With a topological polar surface area (TPSA) of 55.9 Ų, 异硫氰酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异硫氰酸 has 1 hydrogen bond donor(s) and 2 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 异硫氰酸?
The CAS number of 异硫氰酸 is 3129-90-6.
What is the molecular formula of 异硫氰酸?
The molecular formula of 异硫氰酸 is CHNS.
What is the molecular weight of 异硫氰酸?
The molecular weight of 异硫氰酸 is 58.98 g/mol.
Where can I buy 异硫氰酸?
You can request a quote for 异硫氰酸 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?
Yes, KEHONG BIO provides custom synthesis services for 异硫氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.