![3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol structure](/static/products/3749/374923-00-9.webp)
3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol
TL;DR: 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol (CAS 374923-00-9) is a chemical compound with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol, AB00116242-01, 4-Amino-7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-2-thiol, 4-amino-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-thiol, 4-amino-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thione
| Molecular Formula | C11H13N3S2 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.06089 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.05508 |
| Heavy Atoms | 16 |
| Complexity | 611.4526 |
Chemical Identifiers
| CAS Number | 374923-00-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=NC(=S)NC(=C23)N |
Product Overview
3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol (CAS 374923-00-9), with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol. IUPAC: 4-amino-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol
Property Insights of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol
The XLogP value of 3.06089 indicates that 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol 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 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol?
The CAS number of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol is 374923-00-9.
What is the molecular formula of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol?
The molecular formula of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol is C11H13N3S2.
What is the molecular weight of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol?
The molecular weight of 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol is 251.06 g/mol.
Where can I buy 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol?
You can request a quote for 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.