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Bis (phenylthio) methane

CAT: 0024-sc-254981Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-254981Size:10 g
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CAS Number
3561-67-9

Chemical Information

1,1'-(Methylenebis(thio))bis(benzene)
CAS Number3561-67-9
PubChem CID77097
IUPAC Namephenylsulfanylmethylsulfanylbenzene
Molecular FormulaC13H12S2
Molecular Weight232.4
XLogP5.2
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity140
SMILES
C1=CC=C(C=C1)SCSC2=CC=CC=C2
InChI
InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
ZHUPZVIALZHGGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(Methylenebis(thio))bis(benzene)
CAS: 3561-67-9
CID: 77097
Formula: C13H12S2
MW: 232.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass232.03804273
Monoisotopic Mass232.03804273
Topological Polar Surface Area50.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity140
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
OR1029781-01Tris (Phenylthio) Methane
GTR19250784-01Bis (phenylthio) methane
UBC45067Trifluoro (4- ((1,3,5,7-tetraazatricyclo[3.3.1.1<3,7>]decyl) methyl) phenylthio) methane, hydrobromide
S-2379Methane
FAA04253-01(Phenylthio) propanone
288454-01(Phenylthio) acetonitrile
286542-01(Phenylthio) trimethylsilane
B485793(methanesulfinylsulfanyl)methane
RG-M251202-01(Methylsulfonyl) Methane
M4750Methane-13C

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