![4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol structure](/static/products/3981/398132-98-4.webp)
4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol
TL;DR: 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol (CAS 398132-98-4) 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.
3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,6-triene-5-thione
Also Known As: 3-Amino-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene-5-thiol, AE-848/15341053, 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol, 4-amino-5,6,7,8,9-pentahydrocyclohepta[1,2-d]pyrimidino[4,5-b]thiophene-2-thio l, 3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,6-triene-5-thione
| Molecular Formula | C11H13N3S2 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.20499 |
| 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 | 597.0309 |
Chemical Identifiers
| CAS Number | 398132-98-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=NC(=S)NC(=C23)N |
Product Overview
4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol (CAS 398132-98-4), with molecular formula C11H13N3S2 and molecular weight 251.06 g/mol. IUPAC: 3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,6-triene-5-thione.
Chemical Property Profile of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol
Property Insights of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol
The XLogP value of 3.20499 indicates that 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-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, 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-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 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol?
The CAS number of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol is 398132-98-4.
What is the molecular formula of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol?
The molecular formula of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol is C11H13N3S2.
What is the molecular weight of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol?
The molecular weight of 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol is 251.06 g/mol.
Where can I buy 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol?
You can request a quote for 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.