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1-(Methylthio)diphenylmethane

CAT: 0572-TRC-M157330-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M157330-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15733-08-1
Hazard Statement
No Data Available
Smiles
CSC(c1ccccc1)c2ccccc2
Molecular Formula
C14 H14 S
Molecular Weight
214.326
InChI
InChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
Additionnal Information
IUPAC name: [methylsulfanyl(phenyl)methyl]benzene
Shipping Conditions
Room Temperature

Chemical Information

[(Methylsulfanyl)(phenyl)methyl]benzene
CAS Number15733-08-1
PubChem CID597507
IUPAC Name[methylsulfanyl(phenyl)methyl]benzene
Molecular FormulaC14H14S
Molecular Weight214.33
XLogP4
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity148
SMILES
CSC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKey
JQPDEBVXMCQJAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [(Methylsulfanyl)(phenyl)methyl]benzene
CAS: 15733-08-1
CID: 597507
Formula: C14H14S
MW: 214.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.33
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass214.08162162
Monoisotopic Mass214.08162162
Topological Polar Surface Area25.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity148
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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Alternative Products

CatalogName
HY-W008814-01Diphenylmethane
HY-W008814SDiphenylmethane-d2
AR-C03348-012-Chlorophenyl-diphenylmethane
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sc-285453ADiphenylmethane-4,4'-dicarboxylic acid
sc-261144A3,3'-Bis (trifluoromethyl) diphenylmethane
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