methylsulfanyl(propylsulfanyl)methanone

C5H10OS2 — CID 10975672

IUPACmethylsulfanyl(propylsulfanyl)methanone
SMILESCCCSC(=O)SC
InChIInChI=1S/C5H10OS2/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3
InChIKeyTVYVJLINWJKBCN-UHFFFAOYSA-N
MW150.27 g/mol
LogP2.61
Rot. Bonds2

About methylsulfanyl(propylsulfanyl)methanone

methylsulfanyl(propylsulfanyl)methanone (PubChem CID 10975672) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is methylsulfanyl(propylsulfanyl)methanone.

Molecular Properties

Compound Namemethylsulfanyl(propylsulfanyl)methanone
PubChem CID10975672
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Namemethylsulfanyl(propylsulfanyl)methanone
SMILESCCCSC(=O)SC
InChIInChI=1S/C5H10OS2/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3
InChIKeyTVYVJLINWJKBCN-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(propylsulfanyl)methanone?
The IUPAC name of methylsulfanyl(propylsulfanyl)methanone (CID 10975672) is methylsulfanyl(propylsulfanyl)methanone.
What is the SMILES notation for methylsulfanyl(propylsulfanyl)methanone?
The canonical SMILES for methylsulfanyl(propylsulfanyl)methanone is CCCSC(=O)SC.
What is the InChIKey of methylsulfanyl(propylsulfanyl)methanone?
The InChIKey is TVYVJLINWJKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3.
What are the key properties of methylsulfanyl(propylsulfanyl)methanone?
methylsulfanyl(propylsulfanyl)methanone has a molecular weight of 150.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(propylsulfanyl)methanone is sourced from PubChem (CID 10975672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).