(2S)-2-phenyl-2-phenylsulfanylacetate

C14H11O2S- — CID 7345805

IUPAC(2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C([O-])[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)/p-1/t13-/m0/s1
InChIKeyUOCQATUFLPHRNG-ZDUSSCGKSA-M
MW243.31 g/mol
LogP2.27
Rot. Bonds4

About (2S)-2-phenyl-2-phenylsulfanylacetate

(2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 7345805) has the molecular formula C14H11O2S- and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name(2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID7345805
Molecular FormulaC14H11O2S-
Molecular Weight243.31 g/mol
Exact Mass243.05
IUPAC Name(2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C([O-])[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)/p-1/t13-/m0/s1
InChIKeyUOCQATUFLPHRNG-ZDUSSCGKSA-M
XLogP2.27
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-2-phenylsulfanylacetate
CID 57374541
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
(E)-4-hydroxy-3-[(R)-phenyl(phenylsulfanyl)methyl]pent-3-en-2-one
CID 7059687
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2S)-2-phenylsulfanylpropanoate
CID 7127744
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 78844000
S-benzyl 2-phenyl-2-phenylsulfanylethanethioate
CID 101162802
4-[carboxy(phenyl)methyl]sulfanylbenzoic acid
CID 2876441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of (2S)-2-phenyl-2-phenylsulfanylacetate (CID 7345805) is (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for (2S)-2-phenyl-2-phenylsulfanylacetate is O=C([O-])[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is UOCQATUFLPHRNG-ZDUSSCGKSA-M. The full InChI is InChI=1S/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)/p-1/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-phenylsulfanylacetate?
(2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 243.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 7345805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).