![2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio structure](/static/products/6374/63743-53-3.webp)
2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio
TL;DR: 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio (CAS 63743-53-3) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio, 2-(dimethylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 63743-53-3 |
|---|---|
| SMILES | CN(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | BTLRVVZPNOTLFJ-UHFFFAOYSA-N |
Product Overview
2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio (CAS 63743-53-3), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio
Property Insights of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio. Following Lipinski's Rule of Five, 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio has 1 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-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio?
The CAS number of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio is 63743-53-3.
What is the molecular formula of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio?
The molecular formula of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio is C13H17N3OS.
What is the molecular weight of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio?
The molecular weight of 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio is 263.11 g/mol.
Where can I buy 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio?
You can request a quote for 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio?
Yes, KEHONG BIO provides custom synthesis services for 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothio and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.