1-propan-2-ylsulfanylcyclobutene

C7H12S — CID 174588641

IUPAC1-propan-2-ylsulfanylcyclobutene
SMILESCC(C)SC1=CCC1
InChIInChI=1S/C7H12S/c1-6(2)8-7-4-3-5-7/h4,6H,3,5H2,1-2H3
InChIKeyYYSFMXQQUXXMDL-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.81
Rot. Bonds2

About 1-propan-2-ylsulfanylcyclobutene

1-propan-2-ylsulfanylcyclobutene (PubChem CID 174588641) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-propan-2-ylsulfanylcyclobutene.

Molecular Properties

Compound Name1-propan-2-ylsulfanylcyclobutene
PubChem CID174588641
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name1-propan-2-ylsulfanylcyclobutene
SMILESCC(C)SC1=CCC1
InChIInChI=1S/C7H12S/c1-6(2)8-7-4-3-5-7/h4,6H,3,5H2,1-2H3
InChIKeyYYSFMXQQUXXMDL-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanylcyclobutene?
The IUPAC name of 1-propan-2-ylsulfanylcyclobutene (CID 174588641) is 1-propan-2-ylsulfanylcyclobutene.
What is the SMILES notation for 1-propan-2-ylsulfanylcyclobutene?
The canonical SMILES for 1-propan-2-ylsulfanylcyclobutene is CC(C)SC1=CCC1.
What is the InChIKey of 1-propan-2-ylsulfanylcyclobutene?
The InChIKey is YYSFMXQQUXXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-6(2)8-7-4-3-5-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfanylcyclobutene?
1-propan-2-ylsulfanylcyclobutene has a molecular weight of 128.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanylcyclobutene is sourced from PubChem (CID 174588641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).