2-ethylsulfanyl-1H-benzimidazole

C9H10N2S — CID 720878

IUPAC2-ethylsulfanyl-1H-benzimidazole
SMILESCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyUGCOPUIBNABIEP-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.67
Rot. Bonds2

About 2-ethylsulfanyl-1H-benzimidazole

2-ethylsulfanyl-1H-benzimidazole (PubChem CID 720878) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1H-benzimidazole
PubChem CID720878
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-ethylsulfanyl-1H-benzimidazole
SMILESCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKeyUGCOPUIBNABIEP-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1H-benzimidazole?
The IUPAC name of 2-ethylsulfanyl-1H-benzimidazole (CID 720878) is 2-ethylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1H-benzimidazole?
The canonical SMILES for 2-ethylsulfanyl-1H-benzimidazole is CCSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-ethylsulfanyl-1H-benzimidazole?
The InChIKey is UGCOPUIBNABIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 2-ethylsulfanyl-1H-benzimidazole?
2-ethylsulfanyl-1H-benzimidazole has a molecular weight of 178.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 720878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).