S-phenyl 2-phenylmethoxyethanethioate

C15H14O2S — CID 10355167

IUPACS-phenyl 2-phenylmethoxyethanethioate
SMILESO=C(COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14O2S/c16-15(18-14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyBLMSHQNHPDBMAP-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.52
Rot. Bonds5

About S-phenyl 2-phenylmethoxyethanethioate

S-phenyl 2-phenylmethoxyethanethioate (PubChem CID 10355167) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is S-phenyl 2-phenylmethoxyethanethioate.

Molecular Properties

Compound NameS-phenyl 2-phenylmethoxyethanethioate
PubChem CID10355167
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC NameS-phenyl 2-phenylmethoxyethanethioate
SMILESO=C(COCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14O2S/c16-15(18-14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyBLMSHQNHPDBMAP-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-phenyl 2-phenylmethoxyethanethioate?
The IUPAC name of S-phenyl 2-phenylmethoxyethanethioate (CID 10355167) is S-phenyl 2-phenylmethoxyethanethioate.
What is the SMILES notation for S-phenyl 2-phenylmethoxyethanethioate?
The canonical SMILES for S-phenyl 2-phenylmethoxyethanethioate is O=C(COCc1ccccc1)Sc1ccccc1.
What is the InChIKey of S-phenyl 2-phenylmethoxyethanethioate?
The InChIKey is BLMSHQNHPDBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(18-14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of S-phenyl 2-phenylmethoxyethanethioate?
S-phenyl 2-phenylmethoxyethanethioate has a molecular weight of 258.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl 2-phenylmethoxyethanethioate is sourced from PubChem (CID 10355167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).