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

C10H9ClN2OS — CID 82159367

IUPAC2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)10-13-12-9(14-10)5-6-15/h1-4,15H,5-6H2
InChIKeyAPHCHZROBAMBNQ-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.86
Rot. Bonds3

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

2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol (PubChem CID 82159367) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
PubChem CID82159367
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
SMILESSCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)10-13-12-9(14-10)5-6-15/h1-4,15H,5-6H2
InChIKeyAPHCHZROBAMBNQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568
2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 41488022
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The IUPAC name of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol (CID 82159367) is 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol is SCCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
The InChIKey is APHCHZROBAMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/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-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol?
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol has a molecular weight of 240.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol is sourced from PubChem (CID 82159367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).