ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole

C8H14N2S — CID 143026592

IUPACethane;2-ethenylsulfanyl-5-methyl-1H-imidazole
SMILESC=CSc1ncc(C)[nH]1.CC
InChIInChI=1S/C6H8N2S.C2H6/c1-3-9-6-7-4-5(2)8-6;1-2/h3-4H,1H2,2H3,(H,7,8);1-2H3
InChIKeyXXZKBDBKCFHFQW-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.98
Rot. Bonds2

About ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole

ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole (PubChem CID 143026592) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-ethenylsulfanyl-5-methyl-1H-imidazole
PubChem CID143026592
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Nameethane;2-ethenylsulfanyl-5-methyl-1H-imidazole
SMILESC=CSc1ncc(C)[nH]1.CC
InChIInChI=1S/C6H8N2S.C2H6/c1-3-9-6-7-4-5(2)8-6;1-2/h3-4H,1H2,2H3,(H,7,8);1-2H3
InChIKeyXXZKBDBKCFHFQW-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
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2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
CID 3692
2,4-Dimethylimidazole
CID 70259
Imetit Dihydrobromide
CID 11957573
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
5-methyl-1H-imidazol-2-amine
CID 322559
N-cyano-N'-[2-(4-imidazolylmethylthio)ethyl]-N"-methylguanidine
CID 54183770
2-(1H-imidazol-5-yl)ethyl N,N,N'-trimethylcarbamimidothioate;hydrobromide
CID 45259450

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole?
The IUPAC name of ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole (CID 143026592) is ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole.
What is the SMILES notation for ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole?
The canonical SMILES for ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole is C=CSc1ncc(C)[nH]1.CC.
What is the InChIKey of ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole?
The InChIKey is XXZKBDBKCFHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C2H6/c1-3-9-6-7-4-5(2)8-6;1-2/h3-4H,1H2,2H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole?
ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole has a molecular weight of 170.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole is sourced from PubChem (CID 143026592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).