2-ethylsulfanyl-5-methyl-1H-imidazole

C6H10N2S — CID 55288317

IUPAC2-ethylsulfanyl-5-methyl-1H-imidazole
SMILESCCSc1ncc(C)[nH]1
InChIInChI=1S/C6H10N2S/c1-3-9-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRGSSESKGBUOGW-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.83
Rot. Bonds2

About 2-ethylsulfanyl-5-methyl-1H-imidazole

2-ethylsulfanyl-5-methyl-1H-imidazole (PubChem CID 55288317) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-methyl-1H-imidazole
PubChem CID55288317
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name2-ethylsulfanyl-5-methyl-1H-imidazole
SMILESCCSc1ncc(C)[nH]1
InChIInChI=1S/C6H10N2S/c1-3-9-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRGSSESKGBUOGW-UHFFFAOYSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
CID 3692
2,4-Dimethylimidazole
CID 70259
Imetit Dihydrobromide
CID 11957573
Vuf 8328
CID 10176414
2-(1H-imidazol-5-yl)ethyl carbamimidothioate;hydrobromide
CID 25102741
1H-2-imidazolyl 2-(1H-4-imidazolyl)ethyl sulfide
CID 15212461
Thiaburimamide
CID 3034473
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-methyl-1H-imidazole?
The IUPAC name of 2-ethylsulfanyl-5-methyl-1H-imidazole (CID 55288317) is 2-ethylsulfanyl-5-methyl-1H-imidazole.
What is the SMILES notation for 2-ethylsulfanyl-5-methyl-1H-imidazole?
The canonical SMILES for 2-ethylsulfanyl-5-methyl-1H-imidazole is CCSc1ncc(C)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-5-methyl-1H-imidazole?
The InChIKey is PRGSSESKGBUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-9-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-ethylsulfanyl-5-methyl-1H-imidazole?
2-ethylsulfanyl-5-methyl-1H-imidazole has a molecular weight of 142.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-methyl-1H-imidazole is sourced from PubChem (CID 55288317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).