5-chloro-4-(methylsulfonylmethyl)thiadiazole

C4H5ClN2O2S2 — CID 130992217

IUPAC5-chloro-4-(methylsulfonylmethyl)thiadiazole
SMILESCS(=O)(=O)Cc1nnsc1Cl
InChIInChI=1S/C4H5ClN2O2S2/c1-11(8,9)2-3-4(5)10-7-6-3/h2H2,1H3
InChIKeyLVVUZUMQQKEQRH-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.74
Rot. Bonds2

About 5-chloro-4-(methylsulfonylmethyl)thiadiazole

5-chloro-4-(methylsulfonylmethyl)thiadiazole (PubChem CID 130992217) has the molecular formula C4H5ClN2O2S2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-4-(methylsulfonylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(methylsulfonylmethyl)thiadiazole
PubChem CID130992217
Molecular FormulaC4H5ClN2O2S2
Molecular Weight212.68 g/mol
Exact Mass211.95
IUPAC Name5-chloro-4-(methylsulfonylmethyl)thiadiazole
SMILESCS(=O)(=O)Cc1nnsc1Cl
InChIInChI=1S/C4H5ClN2O2S2/c1-11(8,9)2-3-4(5)10-7-6-3/h2H2,1H3
InChIKeyLVVUZUMQQKEQRH-UHFFFAOYSA-N
XLogP0.74
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(methylsulfonylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(methylsulfonylmethyl)thiadiazole (CID 130992217) is 5-chloro-4-(methylsulfonylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(methylsulfonylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(methylsulfonylmethyl)thiadiazole is CS(=O)(=O)Cc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(methylsulfonylmethyl)thiadiazole?
The InChIKey is LVVUZUMQQKEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S2/c1-11(8,9)2-3-4(5)10-7-6-3/h2H2,1H3.
What are the key properties of 5-chloro-4-(methylsulfonylmethyl)thiadiazole?
5-chloro-4-(methylsulfonylmethyl)thiadiazole has a molecular weight of 212.68 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(methylsulfonylmethyl)thiadiazole is sourced from PubChem (CID 130992217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).