RefChem:1098221
TL;DR: RefChem:1098221 (CAS 90379-37-6) is a chemical compound with molecular formula C12H22N2O3S2 and molecular weight 306.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-amino-2-sulfosulfanylethylidene)amino]-1,7,7-trimethylbicyclo[2.2.1]heptane
Also Known As: S-((N-Bornylamidino)methyl) hydrogen thiosulfate, Methanethiol, N-bornylamidino-, hydrogen sulfate (ester), 1-Naphthalenol,5-amino-4-(1-naphthalenylazo), 1,7,7-trimethyl-2-[(2-sulfosulfanylethanimidoyl)amino]norbornane, 3-[(1-amino-2-sulfosulfanylethylidene)amino]-4,7,7-trimethylbicyclo[2.2.1]heptane
Technical Specifications
| Molecular Formula | C12H22N2O3S2 |
| Molecular Weight | 306.10718 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.10718 Da |
| Heavy Atoms | 19 |
| Complexity | 496.0 |
| SMILES | CC1(C2CCC1(C(C2)N=C(CSS(=O)(=O)O)N)C)C |
| InChIKey | AKFGKNDBVKJPBX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1098221
Property Insights of RefChem:1098221
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098221. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098221. Following Lipinski's Rule of Five, RefChem:1098221 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1098221?
The CAS number of RefChem:1098221 is 90379-37-6.
What is the molecular formula of RefChem:1098221?
The molecular formula of RefChem:1098221 is C12H22N2O3S2.
What is the molecular weight of RefChem:1098221?
The molecular weight of RefChem:1098221 is 306.10718 g/mol.
Where can I buy RefChem:1098221?
You can request a quote for RefChem:1098221 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1098221?
Yes, CoreyChem provides custom synthesis services for RefChem:1098221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.