5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole

C6H9ClN2OS2 — CID 43423616

IUPAC5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole
SMILESCOCCSCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2OS2/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4H2,1H3
InChIKeyYPLFCWXNGBPRIC-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.07
Rot. Bonds5

About 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole

5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole (PubChem CID 43423616) has the molecular formula C6H9ClN2OS2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole
PubChem CID43423616
Molecular FormulaC6H9ClN2OS2
Molecular Weight224.74 g/mol
Exact Mass223.98
IUPAC Name5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole
SMILESCOCCSCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2OS2/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4H2,1H3
InChIKeyYPLFCWXNGBPRIC-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole (CID 43423616) is 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole is COCCSCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole?
The InChIKey is YPLFCWXNGBPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS2/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4H2,1H3.
What are the key properties of 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole?
5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole has a molecular weight of 224.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 43423616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).