2-hydroxyethylsulfanyl(methylsulfanyl)methanethione

C4H8OS3 — CID 122680744

IUPAC2-hydroxyethylsulfanyl(methylsulfanyl)methanethione
SMILESCSC(=S)SCCO
InChIInChI=1S/C4H8OS3/c1-7-4(6)8-3-2-5/h5H,2-3H2,1H3
InChIKeyUZDKCPUOFVFLBV-UHFFFAOYSA-N
MW168.31 g/mol
LogP1.36
Rot. Bonds2

About 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione

2-hydroxyethylsulfanyl(methylsulfanyl)methanethione (PubChem CID 122680744) has the molecular formula C4H8OS3 and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione.

Molecular Properties

Compound Name2-hydroxyethylsulfanyl(methylsulfanyl)methanethione
PubChem CID122680744
Molecular FormulaC4H8OS3
Molecular Weight168.31 g/mol
Exact Mass167.97
IUPAC Name2-hydroxyethylsulfanyl(methylsulfanyl)methanethione
SMILESCSC(=S)SCCO
InChIInChI=1S/C4H8OS3/c1-7-4(6)8-3-2-5/h5H,2-3H2,1H3
InChIKeyUZDKCPUOFVFLBV-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethylthio)ethanol
CID 8075
Bis(2-hydroxyethylthio)methane
CID 94785
Sulfonium, (2-hydroxyethyl)dimethyl-
CID 186058
2-Hydroxyethyl(dimethyl)sulfanium iodide
CID 44275350
Sulfocholine
CID 189007
1-Oxa-4,7-dithionane
CID 528228
2,2-Dimethylthioethanol
CID 14729212
Ethylthioethanol
CID 19024902
2,2-Ethylendithiodiethanol
CID 20265491
Dimethylhydroxyethylsulfonium chloride
CID 129676041
Sulfonium, ethyl(2-hydroxyethyl)methyl-
CID 3056979
Sodium 2-hydroxyethyl trithiocarbonate
CID 23693773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione?
The IUPAC name of 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione (CID 122680744) is 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione.
What is the SMILES notation for 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione?
The canonical SMILES for 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione is CSC(=S)SCCO.
What is the InChIKey of 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione?
The InChIKey is UZDKCPUOFVFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS3/c1-7-4(6)8-3-2-5/h5H,2-3H2,1H3.
What are the key properties of 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione?
2-hydroxyethylsulfanyl(methylsulfanyl)methanethione has a molecular weight of 168.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylsulfanyl(methylsulfanyl)methanethione is sourced from PubChem (CID 122680744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).