AG008OVJ

77555-27-2 | 2-(2-Pyridylthio)ethan-1-ol

AG008OVJ

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CAS Number	77555-27-2
Catalog Number	AG008OVJ(AGN-PC-0KKWID)
Chemical Name	2-(2-Pyridylthio)ethan-1-ol
IUPAC Name	2-pyridin-2-ylsulfanylethanol
InChI	InChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChI Key	VKXCZEICJYQFIT-UHFFFAOYSA-N
MDL Number	MFCD00067848
Molecular Formula	C7H9NOS
Molecular Weight	155.2175
SMILES	OCCSC1=NC=CC=C1
Synonyms	77555-27-2, 2-(Pyridin-2-ylthio)ethanol, 2-(2-pyridylthio)ethan-1-ol, Ethanol, 2-(2-pyridinylthio)-, 2-(2-pyridylthio)ethanol, AC1MCP56, 2-(2-Pyridthio)ethan-1-ol, 2-pyridin-2-ylsulfanylethanol, 2-(2-hydroxyethylthio)pyridine, Ethanol,2-(2-pyridinylthio)-, SCHEMBL4686394, 2-(pyridin-2-ylsulfanyl)ethanol, CTK5E4640, KS-00000MEJ, DTXSID00379283, VKXCZEICJYQFIT-UHFFFAOYSA-N, 2-(pyridin-2-ylsulfanyl)-ethanol, MFCD00067848, ZINC11535633, 2-(pyridin-2-ylsulfanyl)ethan-1-ol, 2-(2-PYRIDYTHIO)ETHAN-1-OL, AKOS008923061, MCULE-5619765808, RP01884, AK387693, TS-02070, DB-015374, FT-0608512, Y4071, J-506581, C7H9NOS, 2- ETHAN-1-OL, ZINC02170049, CID2774933,

Complexity	89.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.04g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	155.215g/mol
Monoisotopic Mass	155.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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