AG00DDRP

5147-80-8 | 2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE

AG00DDRP

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CAS Number	5147-80-8
Catalog Number	AG00DDRP(AGN-PC-0JM3HX)
Chemical Name	2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE
IUPAC Name	2-[bis(methylsulfanyl)methylidene]propanedinitrile
InChI	InChI=1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChI Key	FICQFRCPSFCFBY-UHFFFAOYSA-N
MDL Number	MFCD00052730
Molecular Formula	C6H6N2S2
Molecular Weight	170.2552
NSC Number	202533
SMILES	N#CC(C#N)=C(SC)SC
Synonyms	5147-80-8, 2-(bis(methylthio)methylene)malononitrile, [bis(methylthio)methylene]malononitrile, 2-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE, propanedinitrile, [bis(methylthio)methylene]-, 2-[bis(methylsulfanyl)methylidene]propanedinitrile, MFCD00052730, (Bis(methylthio)methylene)propanedinitrile, [bis(methylthio)methylene]propanedinitrile, 2-[bis(methylthio)methylene]malononitrile, 3,3-bis(methylthio)-2-cyanoacrylonitrile, Propanedinitrile, (bis(methylthio)methylene)-, [bis(methylsulfanyl)methylidene]propanedinitrile, (dimethylthiomethylene)methane-1,1-dicarbonitrile, C6H6N2S2, [bis(methylthio)methylidene]propanedinitrile, Maybridge1_002534, AC1Q4QC7, DivK1c_001286, SCHEMBL381502, AC1L40R0, DTXSID8073344, CTK4J4316, HMS548L04, RSCBB000210, FICQFRCPSFCFBY-UHFFFAOYSA-N, ZINC136989, ACT03821, EBD53809, KS-00001B6V, Bis(methylthio)methylenemalononitrile, BBL005474, CCG-56155, NSC202533, SBB056461, STK330640, [bis(methylthio)methylene]malonnitrile, AKOS001128199, Bis(methylthio)methylenepropanedinitrile, bismethylthio methylenepropane dinitrile, CB-2104, MCULE-4683441519, NSC-202533, RP02636, bis (methylthio)methylenepropanedinitrile, bis(methylmercapto)methylenemalononitrile, CDS1_000246, 1,1-dicyano-2,2-bis methylthioethylene, 1,1-Dicyano-2,2-bis(methylthio)ethene, 1,1-dicyano-2,2-bis-methylthioethylene, 2-(di(methylthio)methylene)malononitrile, 2-[Di(methyl thio)methylidene] malononit, 2-cyano-3,3-bis(methylthio)acrylonitrile, 3,3-bis(mehtylthio)-2-cyanoacrylonitrile, AJ-12317, BP-10128, SC-73496, [bis (methylthio)methylene]propanedinitrile, [Bis(methylmercapto)methylene]malononitrile, [bis(methylsulfanyl)methylene]malononitrile, 2-(di(methylthio))methylidenemalononitrile, 2-cyano-3,3-bis(methylthio)propenenitrile, [Bis(methylmercapto)methylene]-malononitrile, 1,1-dicyano-2,2-bis(methylthio)-ethylene, 3,3bis-methylmercapto-2-cyano-acrylonitrile, AB0001843, TR-018328, 2-[bis(methylsulfanyl)methylene]malononitrile, C3289, CS-0038332, FT-0610886, ST24039567, ST50569058, Y9285, 3,3-bis-methylmercapto-2-cyano-acrylonitrile, 2-(Bis-methylsulfanyl-methylene)-malononitrile, 3,3-bis(methylsulfanyl)-2-cyano-acrylonitrile, Propanedinitrile,2-[bis(methylthio)methylene]-, Y-8718, 1,1-dicyano-2,2-bis-(methylmercapto)-ethylene, 2-[Bis(methylthio)methylene]malononitrile, 97%, 147D808, J-506255, S09-0142, SR-01000645131-1, Z94602407, InChI=1/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H, KST-1A5344, C6-H6-N2-S2, CID99229, AR-1A9213, ACN-051471, A7587, 52656-92-5,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.997g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.248g/mol
Monoisotopic Mass	169.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

Lot Number