2,2,2-tris(phenylsulfanyl)ethanol

C20H18OS3 — CID 15103366

IUPAC2,2,2-tris(phenylsulfanyl)ethanol
SMILESOCC(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H18OS3/c21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyAWIJMXXKNVVESD-UHFFFAOYSA-N
MW370.56 g/mol
LogP6.01
Rot. Bonds7

About 2,2,2-tris(phenylsulfanyl)ethanol

2,2,2-tris(phenylsulfanyl)ethanol (PubChem CID 15103366) has the molecular formula C20H18OS3 and a molecular weight of 370.56 g/mol. Its IUPAC name is 2,2,2-tris(phenylsulfanyl)ethanol.

Molecular Properties

Compound Name2,2,2-tris(phenylsulfanyl)ethanol
PubChem CID15103366
Molecular FormulaC20H18OS3
Molecular Weight370.56 g/mol
Exact Mass370.05
IUPAC Name2,2,2-tris(phenylsulfanyl)ethanol
SMILESOCC(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H18OS3/c21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyAWIJMXXKNVVESD-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tris(phenylthio)methane
CID 615706
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
Triphenylsulfonium
CID 61344
1,1,3-Tris(phenylthio)-1-propene
CID 4048974
((1,3-Bis(phenylthio)propyl)thio)benzene
CID 321322
(1-Phenylsulfanylcyclohexyl)sulfanylbenzene
CID 4257233
5,5-Bis(phenylsulfanyl)pentan-1-ol
CID 10881270
(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
CID 11173397
3-Methyl-1,1-bis(phenylsulfanyl)butan-2-ol
CID 12499756
2,5-Dimethyl-4,4-bis(phenylsulfanyl)hexan-3-ol
CID 13452344
[(E)-1,3-bis(phenylsulfanyl)prop-2-enyl]sulfanylbenzene
CID 13551830
(2R,3R)-1,4-bis(phenylsulfanyl)butane-2,3-diol
CID 44514249

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(phenylsulfanyl)ethanol?
The IUPAC name of 2,2,2-tris(phenylsulfanyl)ethanol (CID 15103366) is 2,2,2-tris(phenylsulfanyl)ethanol.
What is the SMILES notation for 2,2,2-tris(phenylsulfanyl)ethanol?
The canonical SMILES for 2,2,2-tris(phenylsulfanyl)ethanol is OCC(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2,2,2-tris(phenylsulfanyl)ethanol?
The InChIKey is AWIJMXXKNVVESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS3/c21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2.
What are the key properties of 2,2,2-tris(phenylsulfanyl)ethanol?
2,2,2-tris(phenylsulfanyl)ethanol has a molecular weight of 370.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(phenylsulfanyl)ethanol is sourced from PubChem (CID 15103366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).