bis(ethylsulfanyl)methanone

C5H10OS2 — CID 12196

IUPACbis(ethylsulfanyl)methanone
SMILESCCSC(=O)SCC
InChIInChI=1S/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChIKeyMBUCFVKJCBBWRI-UHFFFAOYSA-N
MW150.27 g/mol
LogP2.61
Rot. Bonds2

About bis(ethylsulfanyl)methanone

bis(ethylsulfanyl)methanone (PubChem CID 12196) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is bis(ethylsulfanyl)methanone.

Molecular Properties

Compound Namebis(ethylsulfanyl)methanone
PubChem CID12196
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Namebis(ethylsulfanyl)methanone
SMILESCCSC(=O)SCC
InChIInChI=1S/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChIKeyMBUCFVKJCBBWRI-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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Related Compounds

1,1-Bis(methylthio)ethane
CID 81851
Bis(ethylthio)methane
CID 78108
1-(Methylthioethyl) methyl disulfide
CID 528855
Ethyl (ethylthio)methyl disulfide
CID 101410602
Disulfide, ethyl 1-(methylthio)ethyl
CID 88656189
2,4-Dithiahexane
CID 525377
Bis(propylsulfanyl)methanone
CID 536266
Bis-[(ethylthio)methyl]-sulfid
CID 11412751
3,5-Dithiahexan-2-one
CID 537504
Ethyl dithiocarbonic acid
CID 11701094
Bis(1-fluoroethylsulfanyl)methanone
CID 20633686
1-Fluoroethylsulfanyl(propan-2-ylsulfanyl)methanone
CID 59745329

Frequently Asked Questions

What is the IUPAC name of bis(ethylsulfanyl)methanone?
The IUPAC name of bis(ethylsulfanyl)methanone (CID 12196) is bis(ethylsulfanyl)methanone.
What is the SMILES notation for bis(ethylsulfanyl)methanone?
The canonical SMILES for bis(ethylsulfanyl)methanone is CCSC(=O)SCC.
What is the InChIKey of bis(ethylsulfanyl)methanone?
The InChIKey is MBUCFVKJCBBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3.
What are the key properties of bis(ethylsulfanyl)methanone?
bis(ethylsulfanyl)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 bis(ethylsulfanyl)methanone is sourced from PubChem (CID 12196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).