6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole

C9H10N2O2S — CID 119085221

IUPAC6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
SMILESCCOc1ccc2nc(SO)[nH]c2c1
InChIInChI=1S/C9H10N2O2S/c1-2-13-6-3-4-7-8(5-6)11-9(10-7)14-12/h3-5,12H,2H2,1H3,(H,10,11)
InChIKeyGRSMTLQVGYKUCX-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.53
Rot. Bonds3

About 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole

6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole (PubChem CID 119085221) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
PubChem CID119085221
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
SMILESCCOc1ccc2nc(SO)[nH]c2c1
InChIInChI=1S/C9H10N2O2S/c1-2-13-6-3-4-7-8(5-6)11-9(10-7)14-12/h3-5,12H,2H2,1H3,(H,10,11)
InChIKeyGRSMTLQVGYKUCX-UHFFFAOYSA-N
XLogP2.53
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]prop-1-en-2-yl-trifluoroboranuide
CID 106746902
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638
1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 60670681

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole (CID 119085221) is 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole is CCOc1ccc2nc(SO)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole?
The InChIKey is GRSMTLQVGYKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-13-6-3-4-7-8(5-6)11-9(10-7)14-12/h3-5,12H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole?
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole has a molecular weight of 210.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole is sourced from PubChem (CID 119085221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).