1-ethyl-3-methylsulfanylcyclobutane

C7H14S — CID 123797196

IUPAC1-ethyl-3-methylsulfanylcyclobutane
SMILESCCC1CC(SC)C1
InChIInChI=1S/C7H14S/c1-3-6-4-7(5-6)8-2/h6-7H,3-5H2,1-2H3
InChIKeyRVZINJHWICJOOU-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.54
Rot. Bonds2

About 1-ethyl-3-methylsulfanylcyclobutane

1-ethyl-3-methylsulfanylcyclobutane (PubChem CID 123797196) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfanylcyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methylsulfanylcyclobutane
PubChem CID123797196
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-ethyl-3-methylsulfanylcyclobutane
SMILESCCC1CC(SC)C1
InChIInChI=1S/C7H14S/c1-3-6-4-7(5-6)8-2/h6-7H,3-5H2,1-2H3
InChIKeyRVZINJHWICJOOU-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butylthietane
CID 101858390
1,1-Difluoro-3-(2-methylsulfanylethyl)cyclobutane
CID 155139311
1-Fluoro-3-(methylsulfanylmethyl)cyclobutane
CID 166684996
1-Ethylsulfanyl-3-methylcyclobutane
CID 54569316
Methylsulfanylmethylcyclobutane
CID 58453075
1-Ethyl-1-propan-2-ylsulfanylcyclobutane
CID 58664792
1-Propan-2-ylsulfanylethylcyclobutane
CID 59882026
1-(Methylsulfanylmethyl)-3-propan-2-ylcyclobutane
CID 68067696
1-Ethyl-3-(ethylsulfanylmethyl)cyclobutane
CID 68076940
1-Ethyl-3-(methylsulfanylmethyl)cyclobutane
CID 68387304
2-Methylsulfanylethylcyclobutane
CID 68493605
2-Methylsulfinylethylcyclobutane
CID 68493827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylsulfanylcyclobutane?
The IUPAC name of 1-ethyl-3-methylsulfanylcyclobutane (CID 123797196) is 1-ethyl-3-methylsulfanylcyclobutane.
What is the SMILES notation for 1-ethyl-3-methylsulfanylcyclobutane?
The canonical SMILES for 1-ethyl-3-methylsulfanylcyclobutane is CCC1CC(SC)C1.
What is the InChIKey of 1-ethyl-3-methylsulfanylcyclobutane?
The InChIKey is RVZINJHWICJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-3-6-4-7(5-6)8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-methylsulfanylcyclobutane?
1-ethyl-3-methylsulfanylcyclobutane has a molecular weight of 130.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylsulfanylcyclobutane is sourced from PubChem (CID 123797196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).