AG00BYLQ

383127-60-4 | 2-(2-(Methylthio)phenyl)pyrrolidine

AG00BYLQ

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CAS Number	383127-60-4
Catalog Number	AG00BYLQ(AGN-PC-0L9ADE)
Chemical Name	2-(2-(Methylthio)phenyl)pyrrolidine
IUPAC Name	2-(2-methylsulfanylphenyl)pyrrolidine
InChI	InChI=1S/C11H15NS/c1-13-11-7-3-2-5-9(11)10-6-4-8-12-10/h2-3,5,7,10,12H,4,6,8H2,1H3
InChI Key	XLTYHQGKUJLXRU-UHFFFAOYSA-N
MDL Number	MFCD02663494
Molecular Formula	C11H15NS
Molecular Weight	193.3085
SMILES	CSC1=CC=CC=C1C2NCCC2
Synonyms	2-(2-(Methylthio)phenyl)pyrrolidine, 383127-60-4, 2-[2-(methylsulfanyl)phenyl]pyrrolidine, 2-(2-methylsulfanylphenyl)pyrrolidine, AC1N7MZM, SCHEMBL2036393, 1213556-30-9, 1430AJ, BBL021214, MFCD02663494, STK893920, AKOS005143766, DS-9060, MCULE-5920281802, 2-(2-Methylsulfanyl-phenyl)-pyrrolidine, AK157296, BB 0261189, H8255, (S)-2-(2-(METHYLTHIO)PHENYL)PYRROLIDINE, C11H15NS, CID4330139, 2-[2-(METHYLSULFANYL)PHENYL]PYRROLIDINE HCl,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.093g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.308g/mol
Monoisotopic Mass	193.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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