2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole

C11H11ClN2OS2 — CID 141463336

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(CSc2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2OS2/c1-2-16-11-14-13-10(15-11)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyHYCROWMMWKXYHD-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.13
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole

2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole (PubChem CID 141463336) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole
PubChem CID141463336
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(CSc2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2OS2/c1-2-16-11-14-13-10(15-11)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyHYCROWMMWKXYHD-UHFFFAOYSA-N
XLogP4.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((4-Chlorophenyl)sulfonyl)methyl)-5-(methylsulfonyl)-1,3,4-oxadiazole
CID 141519779
2-Ethylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463346
2-[(4-Fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 141463348
2-(((4-Chlorophenyl)thio)difluoromethyl)-5-methyl-1,3,4-oxadiazole
CID 97035669
2-[(3-Chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
CID 67266727
2-Methyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 89774543
2-Methyl-5-phenylsulfanyl-1,3,4-oxadiazole
CID 101799783
2-[(4-Chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 137775044
Ethyl 2-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 141463329
2-[(4-Chlorophenyl)methylsulfanyl]-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463337
2-Benzylsulfanyl-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463341
2-[(4-Chlorophenyl)methylsulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole
CID 141463344

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole (CID 141463336) is 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole is CCSc1nnc(CSc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The InChIKey is HYCROWMMWKXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-2-16-11-14-13-10(15-11)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole has a molecular weight of 286.81 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141463336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).