1-methylsulfanylcyclopentane-1-carbaldehyde

C7H12OS — CID 115011620

IUPAC1-methylsulfanylcyclopentane-1-carbaldehyde
SMILESCSC1(C=O)CCCC1
InChIInChI=1S/C7H12OS/c1-9-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyJGGSFPISTYYJJJ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.86
Rot. Bonds2

About 1-methylsulfanylcyclopentane-1-carbaldehyde

1-methylsulfanylcyclopentane-1-carbaldehyde (PubChem CID 115011620) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-methylsulfanylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-methylsulfanylcyclopentane-1-carbaldehyde
PubChem CID115011620
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-methylsulfanylcyclopentane-1-carbaldehyde
SMILESCSC1(C=O)CCCC1
InChIInChI=1S/C7H12OS/c1-9-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyJGGSFPISTYYJJJ-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine
CID 127001367
1-aminocyclohexane-1-carbaldehyde;ethane
CID 145148133
1-aminocyclopentane-1-carbaldehyde;methanol
CID 142267207
(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
CID 130506580
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
(1-methylsulfanylcyclohexyl)-oxosulfanium
CID 174501763
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
1-(1,1-difluoroethyl)cyclopentane-1-carbaldehyde
CID 84764469
1-methylsulfanylcyclobutane-1-carboxamide
CID 131173065
(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde
CID 90058133
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517
1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
CID 105446585

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopentane-1-carbaldehyde?
The IUPAC name of 1-methylsulfanylcyclopentane-1-carbaldehyde (CID 115011620) is 1-methylsulfanylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-methylsulfanylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1-methylsulfanylcyclopentane-1-carbaldehyde is CSC1(C=O)CCCC1.
What is the InChIKey of 1-methylsulfanylcyclopentane-1-carbaldehyde?
The InChIKey is JGGSFPISTYYJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-9-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3.
What are the key properties of 1-methylsulfanylcyclopentane-1-carbaldehyde?
1-methylsulfanylcyclopentane-1-carbaldehyde has a molecular weight of 144.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 115011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).