1H-benzimidazol-2-yl(morpholin-4-yl)methanethione
TL;DR: 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione (CAS 77456-55-4) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazol-2-yl(morpholin-4-yl)methanethione
Also Known As: ChemDiv3_000557, 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione, BAS 00458430, (1H-Benzoimidazol-2-yl)-morpholin-4-yl-methanethione, AB00089484-01
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 77456-55-4 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=NC3=CC=CC=C3N2 |
| InChIKey | WSTNDGPPTDUGNO-UHFFFAOYSA-N |
Product Overview
1H-benzimidazol-2-yl(morpholin-4-yl)methanethione (CAS 77456-55-4), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione.
Chemical Property Profile of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione
Property Insights of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione. Following Lipinski's Rule of Five, 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione has 1 hydrogen bond donor(s) and 3 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 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione?
The CAS number of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione is 77456-55-4.
What is the molecular formula of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione?
The molecular formula of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione is C12H13N3OS.
What is the molecular weight of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione?
The molecular weight of 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione is 247.08 g/mol.
Where can I buy 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione?
You can request a quote for 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzimidazol-2-yl(morpholin-4-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.