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Phenylacetyl Disulfide

CAT: 0572-TRC-P335598-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P335598-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15088-78-5
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O=C(Cc1ccccc1)SSC(=O)Cc2ccccc2
Molecular Formula
C16 H14 O2 S2
Molecular Weight
302.411
InChI
InChI=1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
Additionnal Information
IUPAC name: S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bis(phenylacetyl) disulfide
CAS Number15088-78-5
PubChem CID3378603
IUPAC NameS-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
Molecular FormulaC16H14O2S2
Molecular Weight302.4
XLogP3.7
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity286
SMILES
C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
IXGZXXBJSZISOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(phenylacetyl) disulfide
CAS: 15088-78-5
CID: 3378603
Formula: C16H14O2S2
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass302.04352203
Monoisotopic Mass302.04352203
Topological Polar Surface Area84.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
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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