5-chloro-4-(propylsulfanylmethyl)thiadiazole

C6H9ClN2S2 — CID 43625668

IUPAC5-chloro-4-(propylsulfanylmethyl)thiadiazole
SMILESCCCSCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-2-3-10-4-5-6(7)11-9-8-5/h2-4H2,1H3
InChIKeyDBESLHVHWIDQPT-UHFFFAOYSA-N
MW208.74 g/mol
LogP2.83
Rot. Bonds4

About 5-chloro-4-(propylsulfanylmethyl)thiadiazole

5-chloro-4-(propylsulfanylmethyl)thiadiazole (PubChem CID 43625668) has the molecular formula C6H9ClN2S2 and a molecular weight of 208.74 g/mol. Its IUPAC name is 5-chloro-4-(propylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(propylsulfanylmethyl)thiadiazole
PubChem CID43625668
Molecular FormulaC6H9ClN2S2
Molecular Weight208.74 g/mol
Exact Mass207.99
IUPAC Name5-chloro-4-(propylsulfanylmethyl)thiadiazole
SMILESCCCSCc1nnsc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-2-3-10-4-5-6(7)11-9-8-5/h2-4H2,1H3
InChIKeyDBESLHVHWIDQPT-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.74
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(propylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(propylsulfanylmethyl)thiadiazole (CID 43625668) is 5-chloro-4-(propylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(propylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(propylsulfanylmethyl)thiadiazole is CCCSCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(propylsulfanylmethyl)thiadiazole?
The InChIKey is DBESLHVHWIDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S2/c1-2-3-10-4-5-6(7)11-9-8-5/h2-4H2,1H3.
What are the key properties of 5-chloro-4-(propylsulfanylmethyl)thiadiazole?
5-chloro-4-(propylsulfanylmethyl)thiadiazole has a molecular weight of 208.74 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(propylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 43625668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).