2-methylsulfanylethylcyclopropane

C6H12S — CID 23403340

IUPAC2-methylsulfanylethylcyclopropane
SMILESCSCCC1CC1
InChIInChI=1S/C6H12S/c1-7-5-4-6-2-3-6/h6H,2-5H2,1H3
InChIKeyMMAYAQRCNVSIKO-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds3

About 2-methylsulfanylethylcyclopropane

2-methylsulfanylethylcyclopropane (PubChem CID 23403340) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 2-methylsulfanylethylcyclopropane.

Molecular Properties

Compound Name2-methylsulfanylethylcyclopropane
PubChem CID23403340
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name2-methylsulfanylethylcyclopropane
SMILESCSCCC1CC1
InChIInChI=1S/C6H12S/c1-7-5-4-6-2-3-6/h6H,2-5H2,1H3
InChIKeyMMAYAQRCNVSIKO-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-thiahexane
CID 294568
Butane, 2-methyl-3-(methylthio)-
CID 525431
2-(Propan-2-yl)thiirane
CID 14197234
2-Methyl-1-(methylsulfanyl)butane
CID 22950924
Methylthiomethylcyclopropane
CID 20731882
3-Methyl 1,2-epithio-pentane
CID 21044087
(2-Cyclopropyl)-1-propyl methyl sulfide
CID 129670942
1-(Trifluoromethylsulfanyl)ethylcyclopropane
CID 67885228
1,1-Difluoro-2-(2-methylsulfanylethyl)cyclopropane
CID 132109351
(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane
CID 166825499
cis-(2R,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane
CID 12820221
trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane
CID 134929754

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethylcyclopropane?
The IUPAC name of 2-methylsulfanylethylcyclopropane (CID 23403340) is 2-methylsulfanylethylcyclopropane.
What is the SMILES notation for 2-methylsulfanylethylcyclopropane?
The canonical SMILES for 2-methylsulfanylethylcyclopropane is CSCCC1CC1.
What is the InChIKey of 2-methylsulfanylethylcyclopropane?
The InChIKey is MMAYAQRCNVSIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-7-5-4-6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 2-methylsulfanylethylcyclopropane?
2-methylsulfanylethylcyclopropane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethylcyclopropane is sourced from PubChem (CID 23403340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).