Tetradecylthioacetic Acid

CAT: 0024-sc-208428Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-208428Size:50 mg

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CAS Number

2921-20-2

Chemical Information

Tetradecylthioacetic acid

2-(tetradecylthio)acetic acid is a straight-chain fatty acid.

CAS Number	2921-20-2
PubChem CID	114924
IUPAC Name	2-tetradecylsulfanylacetic acid
Molecular Formula	C16H32O2S
Molecular Weight	288.5
XLogP	7.1
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	19
Formal Charge	0
Complexity	195

SMILES

CCCCCCCCCCCCCCSCC(=O)O

InChI

InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)

InChIKey

IPBCWPPBAWQYOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2921-20-2

CID: 114924

Formula: C16H32O2S

MW: 288.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.5
XLogP3	7.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	288.21230143
Monoisotopic Mass	288.21230143
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt

Catalog	Name
89986073	Tetradecylthioacetic acid
MBS6048815-01	Tetradecylthioacetic Acid (TTA)
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)