2-propylsulfanylcyclopent-2-en-1-one

C8H12OS — CID 19607085

IUPAC2-propylsulfanylcyclopent-2-en-1-one
SMILESCCCSC1=CCCC1=O
InChIInChI=1S/C8H12OS/c1-2-6-10-8-5-3-4-7(8)9/h5H,2-4,6H2,1H3
InChIKeyKUZPPXGSYWTPLI-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.38
Rot. Bonds3

About 2-propylsulfanylcyclopent-2-en-1-one

2-propylsulfanylcyclopent-2-en-1-one (PubChem CID 19607085) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-propylsulfanylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-propylsulfanylcyclopent-2-en-1-one
PubChem CID19607085
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-propylsulfanylcyclopent-2-en-1-one
SMILESCCCSC1=CCCC1=O
InChIInChI=1S/C8H12OS/c1-2-6-10-8-5-3-4-7(8)9/h5H,2-4,6H2,1H3
InChIKeyKUZPPXGSYWTPLI-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-butylsulfanylhept-3-en-2-one
CID 11481082
Acetylthioline
CID 70333295
3(2H)-Thiophenone, 2,5-dimethyl-
CID 138045
3(2H)-Thiophenone, 2-ethyl-5-methyl-
CID 143482
1-(3,3-difluoro-2H-thiophen-5-yl)butane-1,3-dione
CID 67647280
5-Pentylthiophen-3-one
CID 16756466
4,5-Bis(ethylsulfanyl)cyclopent-4-ene-1,3-dione
CID 71445134
3-Tert-butylsulfanylcyclopent-2-en-1-one
CID 85869443
3-(Tert-butylsulfanylmethyl)cyclopent-2-en-1-one
CID 86200374
3-Methylthiocyclopentenone
CID 104788102
2,6-Dimethyl-4-thiapyrone
CID 129789811
2-Methyl-5-pentylthiophen-3-one
CID 154711856

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylcyclopent-2-en-1-one?
The IUPAC name of 2-propylsulfanylcyclopent-2-en-1-one (CID 19607085) is 2-propylsulfanylcyclopent-2-en-1-one.
What is the SMILES notation for 2-propylsulfanylcyclopent-2-en-1-one?
The canonical SMILES for 2-propylsulfanylcyclopent-2-en-1-one is CCCSC1=CCCC1=O.
What is the InChIKey of 2-propylsulfanylcyclopent-2-en-1-one?
The InChIKey is KUZPPXGSYWTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-6-10-8-5-3-4-7(8)9/h5H,2-4,6H2,1H3.
What are the key properties of 2-propylsulfanylcyclopent-2-en-1-one?
2-propylsulfanylcyclopent-2-en-1-one has a molecular weight of 156.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylcyclopent-2-en-1-one is sourced from PubChem (CID 19607085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).