1-S,2-S-diphenyl ethanebis(thioate)

C14H10O2S2 — CID 18471933

IUPAC1-S,2-S-diphenyl ethanebis(thioate)
SMILESO=C(Sc1ccccc1)C(=O)Sc1ccccc1
InChIInChI=1S/C14H10O2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
InChIKeyDXJDWUINGZAXHY-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.62
Rot. Bonds2

About 1-S,2-S-diphenyl ethanebis(thioate)

1-S,2-S-diphenyl ethanebis(thioate) (PubChem CID 18471933) has the molecular formula C14H10O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-S,2-S-diphenyl ethanebis(thioate).

Molecular Properties

Compound Name1-S,2-S-diphenyl ethanebis(thioate)
PubChem CID18471933
Molecular FormulaC14H10O2S2
Molecular Weight274.37 g/mol
Exact Mass274.01
IUPAC Name1-S,2-S-diphenyl ethanebis(thioate)
SMILESO=C(Sc1ccccc1)C(=O)Sc1ccccc1
InChIInChI=1S/C14H10O2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
InChIKeyDXJDWUINGZAXHY-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-S,2-S-diphenyl ethanebis(thioate)?
The IUPAC name of 1-S,2-S-diphenyl ethanebis(thioate) (CID 18471933) is 1-S,2-S-diphenyl ethanebis(thioate).
What is the SMILES notation for 1-S,2-S-diphenyl ethanebis(thioate)?
The canonical SMILES for 1-S,2-S-diphenyl ethanebis(thioate) is O=C(Sc1ccccc1)C(=O)Sc1ccccc1.
What is the InChIKey of 1-S,2-S-diphenyl ethanebis(thioate)?
The InChIKey is DXJDWUINGZAXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1-S,2-S-diphenyl ethanebis(thioate)?
1-S,2-S-diphenyl ethanebis(thioate) has a molecular weight of 274.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-S,2-S-diphenyl ethanebis(thioate) is sourced from PubChem (CID 18471933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).