1-ethyl-1-propan-2-ylsulfanylcyclobutane

C9H18S — CID 58664792

IUPAC1-ethyl-1-propan-2-ylsulfanylcyclobutane
SMILESCCC1(SC(C)C)CCC1
InChIInChI=1S/C9H18S/c1-4-9(6-5-7-9)10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyCEBLTFKOFWAVLC-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.46
Rot. Bonds3

About 1-ethyl-1-propan-2-ylsulfanylcyclobutane

1-ethyl-1-propan-2-ylsulfanylcyclobutane (PubChem CID 58664792) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 1-ethyl-1-propan-2-ylsulfanylcyclobutane.

Molecular Properties

Compound Name1-ethyl-1-propan-2-ylsulfanylcyclobutane
PubChem CID58664792
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name1-ethyl-1-propan-2-ylsulfanylcyclobutane
SMILESCCC1(SC(C)C)CCC1
InChIInChI=1S/C9H18S/c1-4-9(6-5-7-9)10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyCEBLTFKOFWAVLC-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propan-2-ylsulfanylcyclobutane?
The IUPAC name of 1-ethyl-1-propan-2-ylsulfanylcyclobutane (CID 58664792) is 1-ethyl-1-propan-2-ylsulfanylcyclobutane.
What is the SMILES notation for 1-ethyl-1-propan-2-ylsulfanylcyclobutane?
The canonical SMILES for 1-ethyl-1-propan-2-ylsulfanylcyclobutane is CCC1(SC(C)C)CCC1.
What is the InChIKey of 1-ethyl-1-propan-2-ylsulfanylcyclobutane?
The InChIKey is CEBLTFKOFWAVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-4-9(6-5-7-9)10-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-1-propan-2-ylsulfanylcyclobutane?
1-ethyl-1-propan-2-ylsulfanylcyclobutane has a molecular weight of 158.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propan-2-ylsulfanylcyclobutane is sourced from PubChem (CID 58664792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).