2-(benzyldisulfanyl)ethylbenzene

C15H16S2 — CID 88836915

IUPAC2-(benzyldisulfanyl)ethylbenzene
SMILESc1ccc(CCSSCc2ccccc2)cc1
InChIInChI=1S/C15H16S2/c1-3-7-14(8-4-1)11-12-16-17-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeySFALYFKBNYXPES-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.81
Rot. Bonds6

About 2-(benzyldisulfanyl)ethylbenzene

2-(benzyldisulfanyl)ethylbenzene (PubChem CID 88836915) has the molecular formula C15H16S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(benzyldisulfanyl)ethylbenzene.

Molecular Properties

Compound Name2-(benzyldisulfanyl)ethylbenzene
PubChem CID88836915
Molecular FormulaC15H16S2
Molecular Weight260.43 g/mol
Exact Mass260.07
IUPAC Name2-(benzyldisulfanyl)ethylbenzene
SMILESc1ccc(CCSSCc2ccccc2)cc1
InChIInChI=1S/C15H16S2/c1-3-7-14(8-4-1)11-12-16-17-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeySFALYFKBNYXPES-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(benzyldisulfanyl)propanal
CID 21471211
(heptyldisulfanyl)methylbenzene
CID 141419061
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
benzene;2-phenylethylbenzene
CID 18982764
S-benzylsulfanyl methanethioate
CID 173425612
hafnium;2-phenylethylbenzene
CID 173109801
4-(2-benzylsulfanylethyl)phenol
CID 160730782
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278

Frequently Asked Questions

What is the IUPAC name of 2-(benzyldisulfanyl)ethylbenzene?
The IUPAC name of 2-(benzyldisulfanyl)ethylbenzene (CID 88836915) is 2-(benzyldisulfanyl)ethylbenzene.
What is the SMILES notation for 2-(benzyldisulfanyl)ethylbenzene?
The canonical SMILES for 2-(benzyldisulfanyl)ethylbenzene is c1ccc(CCSSCc2ccccc2)cc1.
What is the InChIKey of 2-(benzyldisulfanyl)ethylbenzene?
The InChIKey is SFALYFKBNYXPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S2/c1-3-7-14(8-4-1)11-12-16-17-13-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-(benzyldisulfanyl)ethylbenzene?
2-(benzyldisulfanyl)ethylbenzene has a molecular weight of 260.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyldisulfanyl)ethylbenzene is sourced from PubChem (CID 88836915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).