5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol
TL;DR: 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol (CAS 377769-41-0) is a chemical compound with molecular formula C11H13N3O3S2 and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-morpholin-4-ylsulfonyl-1,3-dihydrobenzimidazole-2-thione
Also Known As: 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol, 5-(Morpholine-4-sulfonyl)-1H-benzoimidazole-2-thiol, 5-morpholin-4-ylsulfonyl-1,3-dihydrobenzimidazole-2-thione, C11H13N3O3S2
| Molecular Formula | C11H13N3O3S2 |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 1.24639 |
| Topological Polar Surface Area | 78.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.03983 |
| Heavy Atoms | 19 |
| Complexity | 756.82855 |
Chemical Identifiers
| CAS Number | 377769-41-0 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=S)N3 |
Product Overview
5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol (CAS 377769-41-0), with molecular formula C11H13N3O3S2 and molecular weight 299.04 g/mol. IUPAC: 5-morpholin-4-ylsulfonyl-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol
Property Insights of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol
The XLogP value of 1.24639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol. The TPSA of 78.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol. Following Lipinski's Rule of Five, 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-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 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The CAS number of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol is 377769-41-0.
What is the molecular formula of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The molecular formula of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol is C11H13N3O3S2.
What is the molecular weight of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The molecular weight of 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol is 299.04 g/mol.
Where can I buy 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
You can request a quote for 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.