C12H17N3OS
TL;DR: C12H17N3OS (CAS 2445-60-5) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 1,3-DIMETHYL-5-[(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOXOIMIDAZOLIDINE-4-ONE, 1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one, 1,3-Dimethyl-5-((1-methyl-2-pyrrolidinylidene)ethylidene)-2-thioxoimidazolidine-4-one, 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-4-imidazolidinone, 1,3-Dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thiohydantoin
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 2445-60-5 |
|---|---|
| SMILES | CN1CCCC1=CC=C2C(=O)N(C(=S)N2C)C |
| InChIKey | SXRPCRZFBUCPSR-UHFFFAOYSA-N |
Product Overview
C12H17N3OS (CAS 2445-60-5), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: 1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of C12H17N3OS
Property Insights of C12H17N3OS
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H17N3OS. With a topological polar surface area (TPSA) of 58.9 Ų, C12H17N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H17N3OS has 0 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 C12H17N3OS?
The CAS number of C12H17N3OS is 2445-60-5.
What is the molecular formula of C12H17N3OS?
The molecular formula of C12H17N3OS is C12H17N3OS.
What is the molecular weight of C12H17N3OS?
The molecular weight of C12H17N3OS is 251.11 g/mol.
Where can I buy C12H17N3OS?
You can request a quote for C12H17N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H17N3OS?
Yes, KEHONG BIO provides custom synthesis services for C12H17N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.