O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate

C19H20OS2 — CID 151840625

IUPACO-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate
SMILESCSC(=S)OC1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20OS2/c1-22-18(21)20-17-13-8-14-19(17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3
InChIKeySGOSPZUNGBBKET-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.19
Rot. Bonds3

About O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate

O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate (PubChem CID 151840625) has the molecular formula C19H20OS2 and a molecular weight of 328.50 g/mol. Its IUPAC name is O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate.

Molecular Properties

Compound NameO-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate
PubChem CID151840625
Molecular FormulaC19H20OS2
Molecular Weight328.50 g/mol
Exact Mass328.10
IUPAC NameO-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate
SMILESCSC(=S)OC1CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20OS2/c1-22-18(21)20-17-13-8-14-19(17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3
InChIKeySGOSPZUNGBBKET-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate?
The IUPAC name of O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate (CID 151840625) is O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate.
What is the SMILES notation for O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate?
The canonical SMILES for O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate is CSC(=S)OC1CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate?
The InChIKey is SGOSPZUNGBBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS2/c1-22-18(21)20-17-13-8-14-19(17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3.
What are the key properties of O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate?
O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate has a molecular weight of 328.50 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,2-diphenylcyclopentyl) methylsulfanylmethanethioate is sourced from PubChem (CID 151840625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).