CAS 2987-53-3 | 2-(Methylthio)Aniline | CAS Number 2987-53-3

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2987-53-3 | 2-(Methylthio)Aniline

CAS No: 2987-53-3 Catalog No: AG003B2K MDL No:MFCD00007708

Product Description

Catalog Number:

AG003B2K

Chemical Name:

2-(Methylthio)Aniline

CAS Number:

2987-53-3

Molecular Formula:

C7H9NS

Molecular Weight:

139.2181

MDL Number:

MFCD00007708

IUPAC Name:

2-methylsulfanylaniline

InChI:

InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChI Key:

WBRPQQSADOCKCH-UHFFFAOYSA-N

SMILES:

CSc1ccccc1N

EC Number:

221-055-9

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

139.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

139.216g/mol

Monoisotopic Mass:

139.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Bis(acetonitrile)bis(acetylacetonato)ruthenium(III) mediated chemical transformations of coordinated 2-methylthioanilide.	Dalton transactions (Cambridge, England : 2003) 20120621
An unusual (H(2)O)(20) discrete water cluster in the supramolecular host of a charge transfer platinum(ii) complex: cytotoxicity and DNA cleavage activities.	Dalton transactions (Cambridge, England : 2003) 20101028
Auxiliary-assisted palladium-catalyzed arylation and alkylation of sp2 and sp3 carbon-hydrogen bonds.	Journal of the American Chemical Society 20100324
1,4-Alkyl migration associated with simultaneous S-C bond cleavage and N-C bond formation in platinum complexes of 2-aminothioethers. Characterization of intramolecular interligand charge transfer phenomenon.	Dalton transactions (Cambridge, England : 2003) 20100314
Chlorido{5-chloro-2-[2-(methyl-sulfanyl)phenyl-diazen-yl]phenyl}-platinum(II).	Acta crystallographica. Section E, Structure reports online 20080201
FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2,6-dibromo-4-nitroaniline and 2-(methylthio)aniline.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050601