5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole

C15H11ClN2S2 — CID 3822209

IUPAC5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole
SMILESClc1ccc(-c2nnsc2SCc2ccccc2)cc1
InChIInChI=1S/C15H11ClN2S2/c16-13-8-6-12(7-9-13)14-15(20-18-17-14)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKOLVTAMCWOGHR-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.15
Rot. Bonds4

About 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole

5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole (PubChem CID 3822209) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole.

Molecular Properties

Compound Name5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole
PubChem CID3822209
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC Name5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole
SMILESClc1ccc(-c2nnsc2SCc2ccccc2)cc1
InChIInChI=1S/C15H11ClN2S2/c16-13-8-6-12(7-9-13)14-15(20-18-17-14)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKOLVTAMCWOGHR-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole?
The IUPAC name of 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole (CID 3822209) is 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole.
What is the SMILES notation for 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole?
The canonical SMILES for 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole is Clc1ccc(-c2nnsc2SCc2ccccc2)cc1.
What is the InChIKey of 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole?
The InChIKey is AKOLVTAMCWOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c16-13-8-6-12(7-9-13)14-15(20-18-17-14)19-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole?
5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole has a molecular weight of 318.85 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-4-(4-chlorophenyl)thiadiazole is sourced from PubChem (CID 3822209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).