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Farnesylthiotriazole

CAT: 0013-GTR19199240-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199240-01Size:25 mg
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Description
Farnesylthiotriazole
CAS Number
156604-45-4
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
S (C/C=C (/CC/C=C (/CCC=C (C) C) \C) \C) C=1NC=NN1
Molecular Formula
C17H27N3S
Molecular Weight
305.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Farnesylthiotriazole

5-(3,7,11-trimethyldodeca-2,6,10-trienylthio)-1H-1,2,4-triazole is a sesquiterpenoid.

CAS Number156604-45-4
PubChem CID5353633
IUPAC Name5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1H-1,2,4-triazole
Molecular FormulaC17H27N3S
Molecular Weight305.5
XLogP6
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
CC(=CCC/C(=C/CC/C(=C/CSC1=NC=NN1)/C)/C)C
InChI
InChI=1S/C17H27N3S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-21-17-18-13-19-20-17/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,18,19,20)/b15-9+,16-11+
InChIKey
QFXNCKFWHATRCH-XGGJEREUSA-N
Chemical Structure
2D Structure
2D structure of Farnesylthiotriazole
CAS: 156604-45-4
CID: 5353633
Formula: C17H27N3S
MW: 305.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass305.19256905
Monoisotopic Mass305.19256905
Topological Polar Surface Area66.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119818Farnesylthiotriazole

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