S-phenyl (2R)-2-phenylmethoxypropanethioate

C16H16O2S — CID 15356044

IUPACS-phenyl (2R)-2-phenylmethoxypropanethioate
SMILESC[C@@H](OCc1ccccc1)C(=O)Sc1ccccc1
InChIInChI=1S/C16H16O2S/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m1/s1
InChIKeyWUXDTTCLGUVOOS-CYBMUJFWSA-N
MW272.37 g/mol
LogP3.91
Rot. Bonds5

About S-phenyl (2R)-2-phenylmethoxypropanethioate

S-phenyl (2R)-2-phenylmethoxypropanethioate (PubChem CID 15356044) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is S-phenyl (2R)-2-phenylmethoxypropanethioate.

Molecular Properties

Compound NameS-phenyl (2R)-2-phenylmethoxypropanethioate
PubChem CID15356044
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC NameS-phenyl (2R)-2-phenylmethoxypropanethioate
SMILESC[C@@H](OCc1ccccc1)C(=O)Sc1ccccc1
InChIInChI=1S/C16H16O2S/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m1/s1
InChIKeyWUXDTTCLGUVOOS-CYBMUJFWSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-phenyl 2-(phenylmethoxycarbonylamino)propanethioate
CID 100973313
S-phenyl (E,2R,3R)-3-hydroxy-2-phenylmethoxyhex-4-enethioate
CID 10471724
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
phenyl 2-phenylmethoxypropanoate
CID 15731819
N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
CID 61039574
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
(2S,4S,5S)-5-hydroxy-4,6-dimethyl-2-phenylmethoxyheptan-3-one
CID 101232046
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
S-phenyl 2-methyl-3-oxopentanethioate
CID 11481460
1-phenylmethoxyethylphosphonic acid
CID 174787824
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337

Frequently Asked Questions

What is the IUPAC name of S-phenyl (2R)-2-phenylmethoxypropanethioate?
The IUPAC name of S-phenyl (2R)-2-phenylmethoxypropanethioate (CID 15356044) is S-phenyl (2R)-2-phenylmethoxypropanethioate.
What is the SMILES notation for S-phenyl (2R)-2-phenylmethoxypropanethioate?
The canonical SMILES for S-phenyl (2R)-2-phenylmethoxypropanethioate is C[C@@H](OCc1ccccc1)C(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl (2R)-2-phenylmethoxypropanethioate?
The InChIKey is WUXDTTCLGUVOOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16O2S/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m1/s1.
What are the key properties of S-phenyl (2R)-2-phenylmethoxypropanethioate?
S-phenyl (2R)-2-phenylmethoxypropanethioate has a molecular weight of 272.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2R)-2-phenylmethoxypropanethioate is sourced from PubChem (CID 15356044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).