AG008PHN

74631-35-9 | 2-(Methylthio)-5-nitrobenzonitrile

AG008PHN

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	74631-35-9
Catalog Number	AG008PHN(AGN-PC-0U5OWD)
Chemical Name	2-(Methylthio)-5-nitrobenzonitrile
IUPAC Name	2-methylsulfanyl-5-nitrobenzonitrile
InChI	InChI=1S/C8H6N2O2S/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3
InChI Key	OVIOZRLNTSCJFD-UHFFFAOYSA-N
MDL Number	MFCD09475845
Molecular Formula	C8H6N2O2S
Molecular Weight	194.2104
SMILES	N#CC1=CC([N+]([O-])=O)=CC=C1SC
Synonyms	74631-35-9, 2-(Methylthio)-5-nitrobenzonitrile, 2-METHYLTHIO-5-NITROBENZONITRILE, 2-(methylsulfanyl)-5-nitrobenzonitrile, Benzonitrile,2-(methylthio)-5-nitro-, ACMC-209ovj, 2-Cyano-4-nitrothioanisole, SCHEMBL8164896, CTK5E0177, DTXSID60649979, ANW-36509, MFCD09475845, ZINC15021077, AKOS006238369, 2-(Methylthio)-5-nitrobenzonitrile 97%, AJ-66835, TR-024112, V7588, B-5236, I01-11593, C8H6N2O2S, 2- -5-NITROBENZONITRILE,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.208g/mol
Monoisotopic Mass	194.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	94.9A^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

Lot Number