2-Pyridylethylmercaptan

CAT: 0024-sc-206487Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-206487Size:2.5 g

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CAS Number

2044-28-2

Chemical Information

2-Pyridineethanethiol

RN given refers to parent cpd; structure in first source

CAS Number	2044-28-2
PubChem CID	150963
IUPAC Name	2-pyridin-2-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	75

SMILES

C1=CC=NC(=C1)CCS

InChI

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

InChIKey

NJUDGWVAKJCALG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2044-28-2

CID: 150963

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	75.3
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-206938B	4-Pyridylethylmercaptan
sc-206938	4-Pyridylethylmercaptan
sc-206938A	4-Pyridylethylmercaptan
sc-217008	4-Pyridylethylmercaptan, Hydrochloride
sc-217008A	4-Pyridylethylmercaptan, Hydrochloride
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde

Catalog	Name
CAA04428-01	2-pyridylethylmercaptan
MBS6071740-01	2-Pyridylethylmercaptan (2-PEM)
abx182139-01	4-Pyridylethylmercaptan
TRC-P994055-250MG	4-Pyridylethylmercaptan, Hydrochloride
P9517-10A	4-Pyridylethylmercaptan (4-PEM)
P9517-10D	4-Pyridylethylmercaptan, Hydrochloride (4-PEM HCl)
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol