2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol

C10H9BrN2OS — CID 82160241

IUPAC2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C10H9BrN2OS/c11-8-4-2-1-3-7(8)10-13-12-9(14-10)5-6-15/h1-4,15H,5-6H2
InChIKeyDRMHODYFWVFRPO-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.97
Rot. Bonds3

About 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol

2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol (PubChem CID 82160241) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
PubChem CID82160241
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C10H9BrN2OS/c11-8-4-2-1-3-7(8)10-13-12-9(14-10)5-6-15/h1-4,15H,5-6H2
InChIKeyDRMHODYFWVFRPO-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The IUPAC name of 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol (CID 82160241) is 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The canonical SMILES for 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol is SCCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The InChIKey is DRMHODYFWVFRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-4-2-1-3-7(8)10-13-12-9(14-10)5-6-15/h1-4,15H,5-6H2.
What are the key properties of 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol has a molecular weight of 285.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol is sourced from PubChem (CID 82160241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).