AG005RO1

76180-33-1 | Benzenamine, 2-​fluoro-​4-​(methylthio)​-

AG005RO1

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CAS Number	76180-33-1
Catalog Number	AG005RO1(AGN-PC-03JAC5)
Chemical Name	Benzenamine, 2-​fluoro-​4-​(methylthio)​-
IUPAC Name	2-fluoro-4-methylsulfanylaniline
InChI	InChI=1S/C7H8FNS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key	ZINVZVDSYNURHM-UHFFFAOYSA-N
MDL Number	MFCD18824365
Molecular Formula	C7H8FNS
Molecular Weight	157.2085
SMILES	S(C)c1cc(F)c(cc1)N
Synonyms	2-Fluoro-4-(methylthio)aniline, 76180-33-1, 2-FLUORO-4-(METHYLTHIO)BENZENAMINE, 2-fluoro-4-(methylsulfanyl)aniline, 2-fluoro-4-methylsulfanylphenylamine, 4-Amino-3-fluorothioanisole, 2-fluoro-4-methylthioaniline, SCHEMBL388877, CTK2G8094, KS-00003RBW, DTXSID60621699, ZINVZVDSYNURHM-UHFFFAOYSA-N, 2-Fluoro-4-(methylmercapto)aniline, 2-Fluoro-4-(methylsulphanyl)aniline, 2-fluoro-4-(methylthio) benzenamine, MFCD18909665, ZINC71790063, 2-fluoro-4-(methylthio) benzeneamine, 2-fluoro-4-(methylthio)benzene amine, 2-Fluoro-4-methylsulfanyl-phenylamine, 2fluoro -4-methylsulfanyl-phenylamine, AKOS016014046, 2-fluoro-4-methylsulfanyl-phenyl amine, PS-8825, Benzenamine, 2-fluoro-4-(methylthio)-, AB0070957, AJ-118610, 2-fluoro-4-(methylthio)benzenamine, 95% - 1G 1g,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.036g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.206g/mol
Monoisotopic Mass	157.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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