2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-
TL;DR: 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- (CAS 112094-12-9) is a chemical compound with molecular formula C9H9N3O4S and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(hydroxymethyl)-5-nitrobenzimidazole-2-thione
Also Known As: 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-, 1,3-Dihydro-1,3-bis(hydroxymethyl)-5-nitro-2H-benzimidazole-2-thione, 1,3-bis(hydroxymethyl)-5-nitrobenzimidazole-2-thione, 1,3-Bis(hydroxymethyl)-5-nitro-1,3-dihydro-2H-1,3-benzimidazole-2-thione, RefChem:268571
| Molecular Formula | C9H9N3O4S |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 0.98009 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.03137 |
| Heavy Atoms | 17 |
| Complexity | 645.46375 |
Chemical Identifiers
| CAS Number | 112094-12-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2CO)CO |
Product Overview
2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- (CAS 112094-12-9), with molecular formula C9H9N3O4S and molecular weight 255.03 g/mol. IUPAC: 1,3-bis(hydroxymethyl)-5-nitrobenzimidazole-2-thione.
Chemical Property Profile of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-
Property Insights of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-
The XLogP value of 0.98009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-. Following Lipinski's Rule of Five, 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- has 2 hydrogen bond donor(s) and 5 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 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-?
The CAS number of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- is 112094-12-9.
What is the molecular formula of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-?
The molecular formula of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- is C9H9N3O4S.
What is the molecular weight of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-?
The molecular weight of 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- is 255.03 g/mol.
Where can I buy 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-?
You can request a quote for 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzimidazole-2-thione, 1,3-dihydro-1,3-bis(hydroxymethyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.