[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene

C28H26OS2 — CID 67420048

IUPAC[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
SMILESc1ccc(SC[C@@H](O[C@H](CSc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26OS2/c1-5-13-23(14-6-1)27(21-30-25-17-9-3-10-18-25)29-28(24-15-7-2-8-16-24)22-31-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1
InChIKeyVQONTJNDHQQBRP-VSGBNLITSA-N
MW442.65 g/mol
LogP8.07
Rot. Bonds10

About [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene

[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene (PubChem CID 67420048) has the molecular formula C28H26OS2 and a molecular weight of 442.65 g/mol. Its IUPAC name is [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene.

Molecular Properties

Compound Name[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
PubChem CID67420048
Molecular FormulaC28H26OS2
Molecular Weight442.65 g/mol
Exact Mass442.14
IUPAC Name[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene
SMILESc1ccc(SC[C@@H](O[C@H](CSc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26OS2/c1-5-13-23(14-6-1)27(21-30-25-17-9-3-10-18-25)29-28(24-15-7-2-8-16-24)22-31-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1
InChIKeyVQONTJNDHQQBRP-VSGBNLITSA-N
XLogP8.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
CID 14612801
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
2-phenyl-3-phenylsulfanylpropan-1-amine
CID 64536034
[4-(1-acetyloxy-2-phenylsulfanylethyl)phenyl] acetate
CID 102498082
2,3-dibromopropylsulfanylbenzene
CID 102184540
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
CID 22910217
1-phenylsulfanylbutan-2-amine
CID 24973194
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
2-bromohexylsulfanylbenzene
CID 15892245
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene?
The IUPAC name of [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene (CID 67420048) is [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene.
What is the SMILES notation for [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene?
The canonical SMILES for [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene is c1ccc(SC[C@@H](O[C@H](CSc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene?
The InChIKey is VQONTJNDHQQBRP-VSGBNLITSA-N. The full InChI is InChI=1S/C28H26OS2/c1-5-13-23(14-6-1)27(21-30-25-17-9-3-10-18-25)29-28(24-15-7-2-8-16-24)22-31-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1.
What are the key properties of [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene?
[(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene has a molecular weight of 442.65 g/mol, XLogP of 8.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenyl-2-[(1S)-1-phenyl-2-phenylsulfanylethoxy]ethyl]sulfanylbenzene is sourced from PubChem (CID 67420048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).