1-methylsulfanylethylcyclobutane

C7H14S — CID 89429387

IUPAC1-methylsulfanylethylcyclobutane
SMILESCSC(C)C1CCC1
InChIInChI=1S/C7H14S/c1-6(8-2)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyNFYMHHYLTNUTDH-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.54
Rot. Bonds2

About 1-methylsulfanylethylcyclobutane

1-methylsulfanylethylcyclobutane (PubChem CID 89429387) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-methylsulfanylethylcyclobutane.

Molecular Properties

Compound Name1-methylsulfanylethylcyclobutane
PubChem CID89429387
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-methylsulfanylethylcyclobutane
SMILESCSC(C)C1CCC1
InChIInChI=1S/C7H14S/c1-6(8-2)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyNFYMHHYLTNUTDH-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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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylethylcyclobutane?
The IUPAC name of 1-methylsulfanylethylcyclobutane (CID 89429387) is 1-methylsulfanylethylcyclobutane.
What is the SMILES notation for 1-methylsulfanylethylcyclobutane?
The canonical SMILES for 1-methylsulfanylethylcyclobutane is CSC(C)C1CCC1.
What is the InChIKey of 1-methylsulfanylethylcyclobutane?
The InChIKey is NFYMHHYLTNUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-6(8-2)7-4-3-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methylsulfanylethylcyclobutane?
1-methylsulfanylethylcyclobutane 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-methylsulfanylethylcyclobutane is sourced from PubChem (CID 89429387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).