1,4-Thiazepan-5-one
TL;DR: 1,4-Thiazepan-5-one (CAS 2917-60-4) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-thiazepan-5-one
Also Known As: 1,4-thiazepan-5-one, Tetrahydro-1,4-thiazepan-5-one, [1,4]Thiazepan-5-one, 1,4-Thiazepin-5(2H)-one, tetrahydro-, 1,4-Thiazepin-5(2H)-one,tetrahydro-
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 2917-60-4 |
|---|---|
| SMILES | C1CSCCNC1=O |
| InChIKey | YBUWZZKYXPWDGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Thiazepan-5-one (CAS 2917-60-4), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: 1,4-thiazepan-5-one.
Chemical Property Profile of 1,4-Thiazepan-5-one
Property Insights of 1,4-Thiazepan-5-one
The XLogP value of -0.1 indicates that 1,4-Thiazepan-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 1,4-Thiazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Thiazepan-5-one 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 1,4-Thiazepan-5-one?
The CAS number of 1,4-Thiazepan-5-one is 2917-60-4.
What is the molecular formula of 1,4-Thiazepan-5-one?
The molecular formula of 1,4-Thiazepan-5-one is C5H9NOS.
What is the molecular weight of 1,4-Thiazepan-5-one?
The molecular weight of 1,4-Thiazepan-5-one is 131.04 g/mol.
Where can I buy 1,4-Thiazepan-5-one?
You can request a quote for 1,4-Thiazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Thiazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Thiazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.