5-chloro-2-methylsulfanyl-1H-imidazole

C4H5ClN2S — CID 117260378

IUPAC5-chloro-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(Cl)[nH]1
InChIInChI=1S/C4H5ClN2S/c1-8-4-6-2-3(5)7-4/h2H,1H3,(H,6,7)
InChIKeyVFQRJPCTHDZSAI-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.78
Rot. Bonds1

About 5-chloro-2-methylsulfanyl-1H-imidazole

5-chloro-2-methylsulfanyl-1H-imidazole (PubChem CID 117260378) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-1H-imidazole
PubChem CID117260378
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name5-chloro-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(Cl)[nH]1
InChIInChI=1S/C4H5ClN2S/c1-8-4-6-2-3(5)7-4/h2H,1H3,(H,6,7)
InChIKeyVFQRJPCTHDZSAI-UHFFFAOYSA-N
XLogP1.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanyl-1H-imidazole?
The IUPAC name of 5-chloro-2-methylsulfanyl-1H-imidazole (CID 117260378) is 5-chloro-2-methylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-1H-imidazole?
The canonical SMILES for 5-chloro-2-methylsulfanyl-1H-imidazole is CSc1ncc(Cl)[nH]1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-1H-imidazole?
The InChIKey is VFQRJPCTHDZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-8-4-6-2-3(5)7-4/h2H,1H3,(H,6,7).
What are the key properties of 5-chloro-2-methylsulfanyl-1H-imidazole?
5-chloro-2-methylsulfanyl-1H-imidazole has a molecular weight of 148.62 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-1H-imidazole is sourced from PubChem (CID 117260378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).