4-(dichloromethyl)thiadiazole

C3H2Cl2N2S — CID 10702275

IUPAC4-(dichloromethyl)thiadiazole
SMILESClC(Cl)c1csnn1
InChIInChI=1S/C3H2Cl2N2S/c4-3(5)2-1-8-7-6-2/h1,3H
InChIKeyFBKOIPUXZLPPJD-UHFFFAOYSA-N
MW169.04 g/mol
LogP2.01
Rot. Bonds1

About 4-(dichloromethyl)thiadiazole

4-(dichloromethyl)thiadiazole (PubChem CID 10702275) has the molecular formula C3H2Cl2N2S and a molecular weight of 169.04 g/mol. Its IUPAC name is 4-(dichloromethyl)thiadiazole.

Molecular Properties

Compound Name4-(dichloromethyl)thiadiazole
PubChem CID10702275
Molecular FormulaC3H2Cl2N2S
Molecular Weight169.04 g/mol
Exact Mass167.93
IUPAC Name4-(dichloromethyl)thiadiazole
SMILESClC(Cl)c1csnn1
InChIInChI=1S/C3H2Cl2N2S/c4-3(5)2-1-8-7-6-2/h1,3H
InChIKeyFBKOIPUXZLPPJD-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.04
LogP ≤ 52.01
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-(dichloromethyl)thiadiazole?
The IUPAC name of 4-(dichloromethyl)thiadiazole (CID 10702275) is 4-(dichloromethyl)thiadiazole.
What is the SMILES notation for 4-(dichloromethyl)thiadiazole?
The canonical SMILES for 4-(dichloromethyl)thiadiazole is ClC(Cl)c1csnn1.
What is the InChIKey of 4-(dichloromethyl)thiadiazole?
The InChIKey is FBKOIPUXZLPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2N2S/c4-3(5)2-1-8-7-6-2/h1,3H.
What are the key properties of 4-(dichloromethyl)thiadiazole?
4-(dichloromethyl)thiadiazole has a molecular weight of 169.04 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethyl)thiadiazole is sourced from PubChem (CID 10702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).