C13-H22-N2-S
TL;DR: C13-H22-N2-S (CAS 72403-61-3) is a chemical compound with molecular formula C13H22N2S and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-[(1R,2R,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea
Also Known As: exo-5-(3,3-Dimethyl-2-thioureido)tetrahydro-endo-dicyclopentadiene, Thiourea, N,N-dimethyl-N'-((3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl)-, rel-, Thiourea, N,N-dimethyl-N'-(octahydro-4,7-methano-1H-inden-5-yl)-, (3a.alpha.,4.alpha.,5.alpha.,7.alpha.,7a.alpha.)-, Thiourea, N,N-dimethyl-N'-[(3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl]-, rel-
| Molecular Formula | C13H22N2S |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.2472 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.15038 |
| Heavy Atoms | 16 |
| Complexity | 302.3077 |
Chemical Identifiers
| CAS Number | 72403-61-3 |
|---|---|
| SMILES | CN(C)C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@H]3[C@@H]2CCC3 |
Product Overview
C13-H22-N2-S (CAS 72403-61-3), with molecular formula C13H22N2S and molecular weight 238.15 g/mol. IUPAC: 1,1-dimethyl-3-[(1R,2R,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea.
Chemical Property Profile of C13-H22-N2-S
Property Insights of C13-H22-N2-S
The XLogP value of 2.2472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13-H22-N2-S. With a topological polar surface area (TPSA) of 15.27 Ų, C13-H22-N2-S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13-H22-N2-S has 1 hydrogen bond donor(s) and 1 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 C13-H22-N2-S?
The CAS number of C13-H22-N2-S is 72403-61-3.
What is the molecular formula of C13-H22-N2-S?
The molecular formula of C13-H22-N2-S is C13H22N2S.
What is the molecular weight of C13-H22-N2-S?
The molecular weight of C13-H22-N2-S is 238.15 g/mol.
Where can I buy C13-H22-N2-S?
You can request a quote for C13-H22-N2-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13-H22-N2-S?
Yes, KEHONG BIO provides custom synthesis services for C13-H22-N2-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.