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Geranylgeranyl Phenyl Sulfide

CAT: 0024-sc-490108Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490108Size:10 mg
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CAS Number
57804-27-0

Chemical Information

[[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl]thio]benzene
CAS Number57804-27-0
PubChem CID10643649
IUPAC Name[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylbenzene
Molecular FormulaC26H38S
Molecular Weight382.6
XLogP9.5
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Heavy Atom Count27
Formal Charge0
Complexity508
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSC1=CC=CC=C1)/C)/C)/C)C
InChI
InChI=1S/C26H38S/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26-18-7-6-8-19-26/h6-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-5H3/b23-14+,24-16+,25-20+
InChIKey
MYTISHNKWOCLGO-GHDNBGIDSA-N
Chemical Structure
2D Structure
2D structure of [[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl]thio]benzene
CAS: 57804-27-0
CID: 10643649
Formula: C26H38S
MW: 382.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.6
XLogP39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Exact Mass382.26942239
Monoisotopic Mass382.26942239
Topological Polar Surface Area25.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
164280Geranylgeranyl Phenyl Sulfide
591808Phenyl sulfide
260189-01Allyl phenyl sulfide
449706-01Ethyl Phenyl Sulfide
284900-01Methoxymethyl Phenyl Sulfide
P15820-01Phenyl sulfide 99%
P14340Phenyl b-Phenylethyl Sulfide
EAA83459-012-Chloroallyl phenyl sulfide
269265-012-Chloroethyl phenyl sulfide
1615344-Nitrophenyl Phenyl Sulfide

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