ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen

C7H16N2S — CID 143568128

IUPACethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen
SMILESCC.CSc1ncc(C)[nH]1.[H][H]
InChIInChI=1S/C5H8N2S.C2H6.H2/c1-4-3-6-5(7-4)8-2;1-2;/h3H,1-2H3,(H,6,7);1-2H3;1H
InChIKeyVFZBNMQHAYKBJR-UHFFFAOYSA-N
MW160.29 g/mol
LogP2.71
Rot. Bonds1

About ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen

ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen (PubChem CID 143568128) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen
PubChem CID143568128
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Nameethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen
SMILESCC.CSc1ncc(C)[nH]1.[H][H]
InChIInChI=1S/C5H8N2S.C2H6.H2/c1-4-3-6-5(7-4)8-2;1-2;/h3H,1-2H3,(H,6,7);1-2H3;1H
InChIKeyVFZBNMQHAYKBJR-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Ethyl-4-methylimidazole
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2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
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2,4-Dimethylimidazole
CID 70259
2-(1H-imidazol-5-yl)ethyl carbamimidothioate;hydrobromide
CID 25102741
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
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1H-Imidazole-4-carbodithioic acid
CID 3020150
N-cyano-N'-[2-(4-imidazolylmethylthio)ethyl]-N"-methylguanidine
CID 54183770
1-(1H-Imidazol-5-yl)methanamine
CID 12408174
2-(1H-imidazol-5-yl)ethyl N,N,N'-trimethylcarbamimidothioate;hydrobromide
CID 45259450

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen?
The IUPAC name of ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen (CID 143568128) is ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen.
What is the SMILES notation for ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen?
The canonical SMILES for ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen is CC.CSc1ncc(C)[nH]1.[H][H].
What is the InChIKey of ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen?
The InChIKey is VFZBNMQHAYKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H6.H2/c1-4-3-6-5(7-4)8-2;1-2;/h3H,1-2H3,(H,6,7);1-2H3;1H.
What are the key properties of ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen?
ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen has a molecular weight of 160.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylsulfanyl-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 143568128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).