4-Pyridylethylmercaptan

CAT: 0024-sc-206938BSize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-206938BSize:25 g

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CAS Number

2127-05-1

Chemical Information

4-Pyridoethanethiol

reacts with dehydroalanine residues in peptides and proteins in alkaline solution to form 4-pyridoethylcysteine residues

CAS Number	2127-05-1
PubChem CID	150969
IUPAC Name	2-pyridin-4-ylethanethiol
Molecular Formula	C7H9NS
Molecular Weight	139.22
XLogP	1.1
Topological Polar Surface Area	13.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	69

SMILES

C1=CN=CC=C1CCS

InChI

InChI=1S/C7H9NS/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2

InChIKey

VBAOEVKQBLGWTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2127-05-1

CID: 150969

Formula: C7H9NS

MW: 139.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.22
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	139.04557046
Monoisotopic Mass	139.04557046
Topological Polar Surface Area	13.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69.3
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-206487	2-Pyridylethylmercaptan
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine
sc-262190A	4,4,4-Trifluorobutyraldehyde
sc-262192	4,4,4-Trifluorocrotonamide

Catalog	Name
abx182139-01	4-Pyridylethylmercaptan
TRC-P994055-250MG	4-Pyridylethylmercaptan, Hydrochloride
P9517-10A	4-Pyridylethylmercaptan (4-PEM)
CAA04428-01	2-pyridylethylmercaptan
P9517-10D	4-Pyridylethylmercaptan, Hydrochloride (4-PEM HCl)
MBS6071740-01	2-Pyridylethylmercaptan (2-PEM)
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde