3- (Ethylthio) picolinic acid

CAT: 0127-OR94068-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR94068-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

14440-97-2

MDL Number

MFCD20647127

Purity

98%

Smiles

O=C(O)C1=NC=CC=C1SCC

Chemical Information

3-(Ethylsulfanyl)pyridine-2-carboxylic acid

CAS Number	14440-97-2
PubChem CID	79006954
IUPAC Name	3-ethylsulfanylpyridine-2-carboxylic acid
Molecular Formula	C8H9NO2S
Molecular Weight	183.23
XLogP	1.6
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCSC1=C(N=CC=C1)C(=O)O

InChI

InChI=1S/C8H9NO2S/c1-2-12-6-4-3-5-9-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)

InChIKey

RALPFOAVVTWNMR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14440-97-2

CID: 79006954

Formula: C8H9NO2S

MW: 183.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.23
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	183.03539970
Monoisotopic Mass	183.03539970
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
OR1004595	3- (Methylthio) picolinic acid
PC102812-01	3- (Trifluoromethoxy) picolinic acid
OR1092822	3- (ethylthio) benzoic acid
OR360168-01	3- (Ethylthio) benzeneboronic acid
OR1044954-01	6- (3-Chlorophenyl) picolinic acid
PC1002290-01	5- (3-Fluorophenyl) picolinic acid
OR1061888-01	3- (tert-Butyl) picolinic acid
OR470274	6- (3-Nitrophenyl) picolinic acid
OR1071376-01	5- (3-Cyanophenyl) picolinic acid
OR80667-01	Picolinic acid hydrochloride

Catalog	Name
CS-T-39945	Picolinic Acid
TRC-P437222-50MG	Picolinic-d3 Acid
sc-291875	α-Picolinic Acid Hydrochloride
HY-W259489S	Picolinic acid-d4
MBS3609666-01	2-Picolinic acid
HY-I0660R-01	Picolinic acid (Standard)
sc-279157	(Ethylthio) acetic acid
1161020 100	2-Picolinic Acid for Synthesis (α-Picolinic Acid, Pyridine-2-CarboxylicAcid) Carboxylic Acid)
41238-01	A-Picolinic Acid pure, 98%
230684-01	2-Picolinic acid 99+%