(E, E) -Farnesyl thioacetate

CAT: 0926-QNA70135-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-QNA70135-01Size:25 mg

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CAS Number

340701-35-1

Smiles

CC (=CCCC (=CCCC (=CCSC (=O) C) C) C) C

Molecular Formula

C17H28OS

Molecular Weight

280.47 g/mol

Controlled

Chemical Information

Thioacetic acid S-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl) ester

CAS Number	340701-35-1
PubChem CID	10378947
IUPAC Name	S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanethioate
Molecular Formula	C17H28OS
Molecular Weight	280.5
XLogP	5.9
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	19
Formal Charge	0
Complexity	357

SMILES

CC(=CCC/C(=C/CC/C(=C/CSC(=O)C)/C)/C)C

InChI

InChI=1S/C17H28OS/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+

InChIKey

HCAXFXKDAVLSIG-NCZFFCEISA-N

Chemical Structure

2D Structure

CAS: 340701-35-1

CID: 10378947

Formula: C17H28OS

MW: 280.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.5
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	280.18608669
Monoisotopic Mass	280.18608669
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FS181440-01	Sodium thioacetate
HBA36299-01	Benzyl thioacetate
FP34157-01	Potassium thioacetate
GGA60445-01	Farnesyl thiotriazole
FF107916-01	Farnesyl-Met-OMe
FF23229-01	Farnesyl pyrophosphate triammonium salt
FA107905	Ac-Cys (farnesyl) -OMe
FA110899-01	Ac-Cys (farnesyl) -OH
FB64958-01	(E, E) -Bisdemethoxycurcumin
FD21756-01	E, E-Dienestrol

Catalog	Name
447798-01	(E, E) -Farnesyl Thioacetate
MBS3616161-01	Potassium thioacetate
sc-237069	Tetramethylammonium thioacetate
448183	Emtricitabine Thioacetate
OR945643-01	Butyl thioacetate
OR936522-01	Ethyl thioacetate