1-ethyl-2-(2-methylsulfanylethyl)cyclopropane

C8H16S — CID 123992734

IUPAC1-ethyl-2-(2-methylsulfanylethyl)cyclopropane
SMILESCCC1CC1CCSC
InChIInChI=1S/C8H16S/c1-3-7-6-8(7)4-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyKVSTVIVWZIMPGW-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.79
Rot. Bonds4

About 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane

1-ethyl-2-(2-methylsulfanylethyl)cyclopropane (PubChem CID 123992734) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-(2-methylsulfanylethyl)cyclopropane
PubChem CID123992734
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-ethyl-2-(2-methylsulfanylethyl)cyclopropane
SMILESCCC1CC1CCSC
InChIInChI=1S/C8H16S/c1-3-7-6-8(7)4-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyKVSTVIVWZIMPGW-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-(6-cyclopropylhexyl)-2-ethylcyclopropane
CID 123193408
1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
2-methylsulfanylethylcyclopropane
CID 23403340
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-ethyl-2-propylcyclopropane;1-methoxypropane
CID 143686065
1-(3-cyclopropylbutyl)-2-ethylcyclopropane
CID 123702350
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
trans-(1R,2R)-1-ethyl-2-(isothiocyanatomethyl)cyclopropane
CID 131007840
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane?
The IUPAC name of 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane (CID 123992734) is 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane?
The canonical SMILES for 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane is CCC1CC1CCSC.
What is the InChIKey of 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane?
The InChIKey is KVSTVIVWZIMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-7-6-8(7)4-5-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane?
1-ethyl-2-(2-methylsulfanylethyl)cyclopropane has a molecular weight of 144.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylsulfanylethyl)cyclopropane is sourced from PubChem (CID 123992734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).