![2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea structure](/static/products/114/114252-55-0.png)
2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea
TL;DR: 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea (CAS 114252-55-0) is a chemical compound with molecular formula C5H9N3S3 and molecular weight 207.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea
Also Known As: Maybridge4_002335, (2,5-dithia-7-aza-bicyclo[2.2.1]hept-7-yl)-thiourea, 2,5-dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea, BRD-A28565414-001-01-5
| Molecular Formula | C5H9N3S3 |
|---|---|
| Molecular Weight | 207.00 g/mol |
| LogP | 0.1824 |
| Topological Polar Surface Area | 41.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.99586 |
| Heavy Atoms | 11 |
| Complexity | 165.81146 |
Chemical Identifiers
| CAS Number | 114252-55-0 |
|---|---|
| SMILES | C1C2N(C(S1)CS2)NC(=S)N |
Product Overview
2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea (CAS 114252-55-0), with molecular formula C5H9N3S3 and molecular weight 207.00 g/mol. IUPAC: 2,5-dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea.
Chemical Property Profile of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea
Property Insights of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea
The XLogP value of 0.1824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea. With a topological polar surface area (TPSA) of 41.29 Ų, 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea has 2 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 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea?
The CAS number of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea is 114252-55-0.
What is the molecular formula of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea?
The molecular formula of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea is C5H9N3S3.
What is the molecular weight of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea?
The molecular weight of 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea is 207.00 g/mol.
Where can I buy 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea?
You can request a quote for 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dithia-7-azabicyclo[2.2.1]heptan-7-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.