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MTPPA

CAT: 0931-T13784-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13784-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70991-61-6
Target
Others
Related Pathways
Others
Purity
0.999
Bioactivity
MTPPA (M 5011) is treating inflammation and pain.
Smiles
CC1=C(C2=CC=C(C(C(O)=O)C)C=C2)SC=C1
Molecular Formula
C14H14O2S
Molecular Weight
246.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mtppa
CAS Number70991-61-6
PubChem CID12769847
IUPAC Name2-[4-(3-methylthiophen-2-yl)phenyl]propanoic acid
Molecular FormulaC14H14O2S
Molecular Weight246.33
XLogP3.7
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
CC1=C(SC=C1)C2=CC=C(C=C2)C(C)C(=O)O
InChI
InChI=1S/C14H14O2S/c1-9-7-8-17-13(9)12-5-3-11(4-6-12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
InChIKey
DTOPKPBTCXKNFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mtppa
CAS: 70991-61-6
CID: 12769847
Formula: C14H14O2S
MW: 246.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.33
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass246.07145086
Monoisotopic Mass246.07145086
Topological Polar Surface Area65.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5768110MTPPA
A19965-25MTPPA 25mg
A19965-100MTPPA 100mg
A19965-5MTPPA 5mg
A19965-200MTPPA 200mg
A19965-50MTPPA 50mg
A19965-10MTPPA 10mg
A19965-1MTPPA 1mg
A19965-10mM-DMTPPA 10mM * 1mL in DMSO

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