1,3-Bis(sulfanyl)propan-2-one
TL;DR: 1,3-Bis(sulfanyl)propan-2-one (CAS 60973-55-9) is a chemical compound with molecular formula C3H6OS2 and molecular weight 121.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(sulfanyl)propan-2-one
Also Known As: acetone, thiomethylketone, 1,3-bis(sulfanyl)propan-2-one, 1,3-acetonedithiol, 1,3-dimercaptoacetone
| Molecular Formula | C3H6OS2 |
|---|---|
| Molecular Weight | 121.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 19.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.98601 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 60973-55-9 |
|---|---|
| SMILES | C(C(=O)CS)S |
| InChIKey | QCBZCEKWIGTIMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(sulfanyl)propan-2-one (CAS 60973-55-9), with molecular formula C3H6OS2 and molecular weight 121.99 g/mol. IUPAC: 1,3-bis(sulfanyl)propan-2-one.
Chemical Property Profile of 1,3-Bis(sulfanyl)propan-2-one
Property Insights of 1,3-Bis(sulfanyl)propan-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(sulfanyl)propan-2-one. With a topological polar surface area (TPSA) of 19.1 Ų, 1,3-Bis(sulfanyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(sulfanyl)propan-2-one has 2 hydrogen bond donor(s) and 3 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 1,3-Bis(sulfanyl)propan-2-one?
The CAS number of 1,3-Bis(sulfanyl)propan-2-one is 60973-55-9.
What is the molecular formula of 1,3-Bis(sulfanyl)propan-2-one?
The molecular formula of 1,3-Bis(sulfanyl)propan-2-one is C3H6OS2.
What is the molecular weight of 1,3-Bis(sulfanyl)propan-2-one?
The molecular weight of 1,3-Bis(sulfanyl)propan-2-one is 121.99 g/mol.
Where can I buy 1,3-Bis(sulfanyl)propan-2-one?
You can request a quote for 1,3-Bis(sulfanyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(sulfanyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(sulfanyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.