4-(1-chloroprop-2-enyl)thiadiazole

C5H5ClN2S — CID 70576360

IUPAC4-(1-chloroprop-2-enyl)thiadiazole
SMILESC=CC(Cl)c1csnn1
InChIInChI=1S/C5H5ClN2S/c1-2-4(6)5-3-9-8-7-5/h2-4H,1H2
InChIKeyPXCGMLFJHSDUJZ-UHFFFAOYSA-N
MW160.63 g/mol
LogP2.00
Rot. Bonds2

About 4-(1-chloroprop-2-enyl)thiadiazole

4-(1-chloroprop-2-enyl)thiadiazole (PubChem CID 70576360) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 4-(1-chloroprop-2-enyl)thiadiazole.

Molecular Properties

Compound Name4-(1-chloroprop-2-enyl)thiadiazole
PubChem CID70576360
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name4-(1-chloroprop-2-enyl)thiadiazole
SMILESC=CC(Cl)c1csnn1
InChIInChI=1S/C5H5ClN2S/c1-2-4(6)5-3-9-8-7-5/h2-4H,1H2
InChIKeyPXCGMLFJHSDUJZ-UHFFFAOYSA-N
XLogP2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroprop-2-enyl)thiadiazole?
The IUPAC name of 4-(1-chloroprop-2-enyl)thiadiazole (CID 70576360) is 4-(1-chloroprop-2-enyl)thiadiazole.
What is the SMILES notation for 4-(1-chloroprop-2-enyl)thiadiazole?
The canonical SMILES for 4-(1-chloroprop-2-enyl)thiadiazole is C=CC(Cl)c1csnn1.
What is the InChIKey of 4-(1-chloroprop-2-enyl)thiadiazole?
The InChIKey is PXCGMLFJHSDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c1-2-4(6)5-3-9-8-7-5/h2-4H,1H2.
What are the key properties of 4-(1-chloroprop-2-enyl)thiadiazole?
4-(1-chloroprop-2-enyl)thiadiazole has a molecular weight of 160.63 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroprop-2-enyl)thiadiazole is sourced from PubChem (CID 70576360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).