Undecylthioacetic acid

Modify Date: 2025-08-27 12:07:38

Undecylthioacetic acid Structure
Undecylthioacetic acid structure
 Common Name Undecylthioacetic acid
CAS Number 116296-31-2 Molecular Weight 246.409
Density 1.0±0.1 g/cm3 Boiling Point 359.0±25.0 °C at 760 mmHg
Molecular Formula C13H26O2S Melting Point N/A
MSDS N/A Flash Point 170.9±23.2 °C

 Names

Name 2-undecylsulfanylacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 359.0±25.0 °C at 760 mmHg
Molecular Formula C13H26O2S
Molecular Weight 246.409
Flash Point 170.9±23.2 °C
Exact Mass 246.165344
PSA 62.60000
LogP 5.49
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.483
InChIKey CZSSKBQAJULWPY-UHFFFAOYSA-N
SMILES CCCCCCCCCCCSCC(=O)O
Storage condition -20℃

 Synthetic Route

1-Decanethiol structure

1-Decanethiol

CAS#:143-10-2

2-Methyl-2-propanyl bromoacetate structure

2-Methyl-2-prop...

CAS#:5292-43-3

~%

Undecylthioacetic acid Structure

Undecylthioacet...

CAS#:116296-31-2

Literature: Journal of Medicinal Chemistry, , vol. 54, # 9 p. 3348 - 3359
1-Bromoundecane structure

1-Bromoundecane

CAS#:693-67-4

Mercaptoacetic acid structure

Mercaptoacetic acid

CAS#:68-11-1

~%

Undecylthioacetic acid Structure

Undecylthioacet...

CAS#:116296-31-2

Literature: Acta Chemica Scandinavica (1947-1973), , vol. 8, p. 1111,1116,1118
1-Undecene structure

1-Undecene

CAS#:821-95-4

Mercaptoacetic acid structure

Mercaptoacetic acid

CAS#:68-11-1

~%

Undecylthioacetic acid Structure

Undecylthioacet...

CAS#:116296-31-2

Literature: Acta Chemica Scandinavica (1947-1973), , vol. 8, p. 1111,1116,1118

 Undecylthioacetic acidBioassay

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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: A screen for small molecules that modulate mitochondrial supercomplex formation
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1482
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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 Synonyms

(Undecylsulfanyl)acetic acid
3-Thiatetradecanoic Acid
Undecylthioacetic acid
3-Thia-tetradecansaeure
Undecylmercapto-essigsaeure
undecylmercapto-acetic acid
2-undecylthioacetic acid
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