1-propan-2-ylsulfanylethylcyclobutane

C9H18S — CID 59882026

IUPAC1-propan-2-ylsulfanylethylcyclobutane
SMILESCC(C)SC(C)C1CCC1
InChIInChI=1S/C9H18S/c1-7(2)10-8(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyBKIZFXIOZLJXRO-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.32
Rot. Bonds3

About 1-propan-2-ylsulfanylethylcyclobutane

1-propan-2-ylsulfanylethylcyclobutane (PubChem CID 59882026) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 1-propan-2-ylsulfanylethylcyclobutane.

Molecular Properties

Compound Name1-propan-2-ylsulfanylethylcyclobutane
PubChem CID59882026
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name1-propan-2-ylsulfanylethylcyclobutane
SMILESCC(C)SC(C)C1CCC1
InChIInChI=1S/C9H18S/c1-7(2)10-8(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyBKIZFXIOZLJXRO-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanylethylcyclobutane?
The IUPAC name of 1-propan-2-ylsulfanylethylcyclobutane (CID 59882026) is 1-propan-2-ylsulfanylethylcyclobutane.
What is the SMILES notation for 1-propan-2-ylsulfanylethylcyclobutane?
The canonical SMILES for 1-propan-2-ylsulfanylethylcyclobutane is CC(C)SC(C)C1CCC1.
What is the InChIKey of 1-propan-2-ylsulfanylethylcyclobutane?
The InChIKey is BKIZFXIOZLJXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-7(2)10-8(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-propan-2-ylsulfanylethylcyclobutane?
1-propan-2-ylsulfanylethylcyclobutane has a molecular weight of 158.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanylethylcyclobutane is sourced from PubChem (CID 59882026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).