[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene

C16H18S2 — CID 12525253

IUPAC[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
SMILESC[C@@H](SS[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18S2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14-/m1/s1
InChIKeyOJQUHFNDPJAUSR-ZIAGYGMSSA-N
MW274.45 g/mol
LogP5.89
Rot. Bonds5

About [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene

[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene (PubChem CID 12525253) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
PubChem CID12525253
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
SMILESC[C@@H](SS[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18S2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14-/m1/s1
InChIKeyOJQUHFNDPJAUSR-ZIAGYGMSSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethyltetrasulfanyl)ethylbenzene
CID 71330817
ethane;1-ethylsulfanylethylbenzene
CID 91185856
1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932
propan-2-ylcyclodecapentaene
CID 123508933
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
1-(1-phenylethylsulfanyl)propan-2-amine
CID 66219944
cumene;ethane
CID 54306132
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;2-methylpropane
CID 90828344

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene?
The IUPAC name of [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene (CID 12525253) is [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene.
What is the SMILES notation for [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene?
The canonical SMILES for [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene is C[C@@H](SS[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene?
The InChIKey is OJQUHFNDPJAUSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18S2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene?
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene has a molecular weight of 274.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene is sourced from PubChem (CID 12525253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).