(benzyldisulfanyl)methylbenzene

C14H14S2 — CID 9012

IUPAC(benzyldisulfanyl)methylbenzene
SMILESc1ccc(CSSCc2ccccc2)cc1
InChIInChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyGVPWHKZIJBODOX-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.77
Rot. Bonds5

About (benzyldisulfanyl)methylbenzene

(benzyldisulfanyl)methylbenzene (PubChem CID 9012) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (benzyldisulfanyl)methylbenzene.

Molecular Properties

Compound Name(benzyldisulfanyl)methylbenzene
PubChem CID9012
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name(benzyldisulfanyl)methylbenzene
SMILESc1ccc(CSSCc2ccccc2)cc1
InChIInChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyGVPWHKZIJBODOX-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.77
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

Biphenyl
CID 7095
Styrene
CID 7501
Benzyl mercaptan
CID 7509
trans-Stilbene
CID 638088
Diphenylmethane
CID 7580
Dibenzyl sulfide
CID 10867
Dibenzyl
CID 7647
Benzyl sulfoxide
CID 12116
Diphenylacetylene
CID 10390
Benzyl methyl disulfide
CID 12779
1-Phenylethanethiol
CID 141850
cis-Stilbene
CID 5356785

Frequently Asked Questions

What is the IUPAC name of (benzyldisulfanyl)methylbenzene?
The IUPAC name of (benzyldisulfanyl)methylbenzene (CID 9012) is (benzyldisulfanyl)methylbenzene.
What is the SMILES notation for (benzyldisulfanyl)methylbenzene?
The canonical SMILES for (benzyldisulfanyl)methylbenzene is c1ccc(CSSCc2ccccc2)cc1.
What is the InChIKey of (benzyldisulfanyl)methylbenzene?
The InChIKey is GVPWHKZIJBODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of (benzyldisulfanyl)methylbenzene?
(benzyldisulfanyl)methylbenzene has a molecular weight of 246.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (benzyldisulfanyl)methylbenzene is sourced from PubChem (CID 9012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).