4-(chloromethyl)thiadiazole

C3H3ClN2S — CID 14370534

IUPAC4-(chloromethyl)thiadiazole
SMILESClCc1csnn1
InChIInChI=1S/C3H3ClN2S/c4-1-3-2-7-6-5-3/h2H,1H2
InChIKeyVZFVKQUUOJAIOH-UHFFFAOYSA-N
MW134.59 g/mol
LogP1.28
Rot. Bonds1

About 4-(chloromethyl)thiadiazole

4-(chloromethyl)thiadiazole (PubChem CID 14370534) has the molecular formula C3H3ClN2S and a molecular weight of 134.59 g/mol. Its IUPAC name is 4-(chloromethyl)thiadiazole.

Molecular Properties

Compound Name4-(chloromethyl)thiadiazole
PubChem CID14370534
Molecular FormulaC3H3ClN2S
Molecular Weight134.59 g/mol
Exact Mass133.97
IUPAC Name4-(chloromethyl)thiadiazole
SMILESClCc1csnn1
InChIInChI=1S/C3H3ClN2S/c4-1-3-2-7-6-5-3/h2H,1H2
InChIKeyVZFVKQUUOJAIOH-UHFFFAOYSA-N
XLogP1.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.59
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)thiadiazole?
The IUPAC name of 4-(chloromethyl)thiadiazole (CID 14370534) is 4-(chloromethyl)thiadiazole.
What is the SMILES notation for 4-(chloromethyl)thiadiazole?
The canonical SMILES for 4-(chloromethyl)thiadiazole is ClCc1csnn1.
What is the InChIKey of 4-(chloromethyl)thiadiazole?
The InChIKey is VZFVKQUUOJAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2S/c4-1-3-2-7-6-5-3/h2H,1H2.
What are the key properties of 4-(chloromethyl)thiadiazole?
4-(chloromethyl)thiadiazole has a molecular weight of 134.59 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)thiadiazole is sourced from PubChem (CID 14370534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).