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Geranylgeranyl Phenyl Sulfide

CAT: 0572-TRC-G367570-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G367570-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57804-27-0
Synonyms
[[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl]thio]benzene; [(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl](phenyl)sulfane
Hazard Statement
No Data Available
Smiles
CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)\C)\C)\C)C
Molecular Formula
C26 H38 S
Molecular Weight
382.645
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+
Additionnal Information
IUPAC name: [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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
sc-252591Chloromethyl phenyl sulfide
sc-236365APhenyl propargyl sulfide
sc-233899Azidomethyl phenyl sulfide
sc-236367Phenyl trifluoromethyl sulfide
sc-239632Cyclopropyl phenyl sulfide
sc-228468Methoxymethyl phenyl sulfide

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