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Dibenzyl Disulphide

CAT: 0572-TRC-D417080-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D417080-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150-60-7
Synonyms
Disulfide, bis(phenylmethyl); Benzyl disulfide (8CI); Bis(phenylmethyl) disulfide; 1,4-Diphenyl-2,3-dithiabutane; BDS; Benzyl bisulfide; Dailube S 700; Di(phenylmethyl)disulfide; Dibenzyl disulfide; Dibenzyl disulphide; NSC 677465; NSC 6841; S 700; T 322; α-(Benzyldithio)toluene
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
C(SSCc1ccccc1)c2ccccc2
Molecular Formula
C14 H14 S2
Molecular Weight
246.39
InChI
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
Additionnal Information
IUPAC name: (benzyldisulfanyl)methylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibenzyl Disulfide

Dibenzyl disulfide is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has a role as a metabolite. It is an organic aromatic compound and an organic disulfide.

CAS Number150-60-7
PubChem CID9012
IUPAC Name(benzyldisulfanyl)methylbenzene
Molecular FormulaC14H14S2
Molecular Weight246.4
XLogP3.9
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity150
SMILES
C1=CC=C(C=C1)CSSCC2=CC=CC=C2
InChI
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
InChIKey
GVPWHKZIJBODOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl Disulfide
CAS: 150-60-7
CID: 9012
Formula: C14H14S2
MW: 246.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass246.05369279
Monoisotopic Mass246.05369279
Topological Polar Surface Area50.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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