3-MATIDA

CAT: 0127-BUP15380-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15380-01Size:5 mg

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CAS Number

518357-51-2

Purity

=98%

Smiles

C(C(O)=O)(N)C=1SC(C(O)=O)=CC1C

Chemical Information

3-Matida

5-[amino(carboxy)methyl]-4-methyl-2-thiophenecarboxylic acid is an alpha-amino acid.

CAS Number	518357-51-2
PubChem CID	10398360
IUPAC Name	5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid
Molecular Formula	C8H9NO4S
Molecular Weight	215.23
XLogP	-1.8
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	258

SMILES

CC1=C(SC(=C1)C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)

InChIKey

KOMWRBFEDDEWEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 518357-51-2

CID: 10398360

Formula: C8H9NO4S

MW: 215.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.23
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	215.02522894
Monoisotopic Mass	215.02522894
Topological Polar Surface Area	129 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
PC450524-01	3,3,3-Trifluoropropoxytriethylsilane
OR1060769-01	3,3',3''-Phosphanetriyltriphenol

Catalog	Name
B6969-50	3-MATIDA
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
160739	3,3,3-Trimethoxypropanenitrile