3-Morpholinopropyl isothiocyanate
TL;DR: 3-Morpholinopropyl isothiocyanate (CAS 32813-50-6) is a chemical compound with molecular formula C8H14N2OS and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-isothiocyanatopropyl)morpholine
Also Known As: 3-Morpholinopropyl isothiocyanate, 4-(3-Isothiocyanatopropyl)morpholine, 3-(4-Morpholino)propyl isothiocyanate, 3- PROPYLISOTHIOCYANATE, 3-morpholinopropylisothiocyanate
| Molecular Formula | C8H14N2OS |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.08269 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 32813-50-6 |
|---|---|
| SMILES | C1COCCN1CCCN=C=S |
| InChIKey | BCEFDMYFAAAFPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Morpholinopropyl isothiocyanate (CAS 32813-50-6), with molecular formula C8H14N2OS and molecular weight 186.08 g/mol. IUPAC: 4-(3-isothiocyanatopropyl)morpholine.
Chemical Property Profile of 3-Morpholinopropyl isothiocyanate
Property Insights of 3-Morpholinopropyl isothiocyanate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Morpholinopropyl isothiocyanate. With a topological polar surface area (TPSA) of 56.9 Ų, 3-Morpholinopropyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Morpholinopropyl isothiocyanate 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 3-Morpholinopropyl isothiocyanate?
The CAS number of 3-Morpholinopropyl isothiocyanate is 32813-50-6.
What is the molecular formula of 3-Morpholinopropyl isothiocyanate?
The molecular formula of 3-Morpholinopropyl isothiocyanate is C8H14N2OS.
What is the molecular weight of 3-Morpholinopropyl isothiocyanate?
The molecular weight of 3-Morpholinopropyl isothiocyanate is 186.08 g/mol.
Where can I buy 3-Morpholinopropyl isothiocyanate?
You can request a quote for 3-Morpholinopropyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Morpholinopropyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Morpholinopropyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.