methylsulfanyl(propan-2-ylsulfanyl)methanone

C5H10OS2 — CID 12718955

IUPACmethylsulfanyl(propan-2-ylsulfanyl)methanone
SMILESCSC(=O)SC(C)C
InChIInChI=1S/C5H10OS2/c1-4(2)8-5(6)7-3/h4H,1-3H3
InChIKeyIQFXGMWBJNLLFL-UHFFFAOYSA-N
MW150.27 g/mol
LogP2.61
Rot. Bonds1

About methylsulfanyl(propan-2-ylsulfanyl)methanone

methylsulfanyl(propan-2-ylsulfanyl)methanone (PubChem CID 12718955) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is methylsulfanyl(propan-2-ylsulfanyl)methanone.

Molecular Properties

Compound Namemethylsulfanyl(propan-2-ylsulfanyl)methanone
PubChem CID12718955
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Namemethylsulfanyl(propan-2-ylsulfanyl)methanone
SMILESCSC(=O)SC(C)C
InChIInChI=1S/C5H10OS2/c1-4(2)8-5(6)7-3/h4H,1-3H3
InChIKeyIQFXGMWBJNLLFL-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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(propan-2-ylsulfanyl)methanone?
The IUPAC name of methylsulfanyl(propan-2-ylsulfanyl)methanone (CID 12718955) is methylsulfanyl(propan-2-ylsulfanyl)methanone.
What is the SMILES notation for methylsulfanyl(propan-2-ylsulfanyl)methanone?
The canonical SMILES for methylsulfanyl(propan-2-ylsulfanyl)methanone is CSC(=O)SC(C)C.
What is the InChIKey of methylsulfanyl(propan-2-ylsulfanyl)methanone?
The InChIKey is IQFXGMWBJNLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-4(2)8-5(6)7-3/h4H,1-3H3.
What are the key properties of methylsulfanyl(propan-2-ylsulfanyl)methanone?
methylsulfanyl(propan-2-ylsulfanyl)methanone has a molecular weight of 150.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(propan-2-ylsulfanyl)methanone is sourced from PubChem (CID 12718955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).