AG00ELBK

6339-51-1 | 4-[(4-cyanophenyl)disulfanyl]benzonitrile

AG00ELBK

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CAS Number	6339-51-1
Catalog Number	AG00ELBK(AGN-PC-0JOCI5)
Chemical Name	4-[(4-cyanophenyl)disulfanyl]benzonitrile
IUPAC Name	4-[(4-cyanophenyl)disulfanyl]benzonitrile
InChI	InChI=1S/C14H8N2S2/c15-9-11-1-5-13(6-2-11)17-18-14-7-3-12(10-16)4-8-14/h1-8H
InChI Key	BCUVQZBVGSXWCG-UHFFFAOYSA-N
MDL Number	MFCD00183608
Molecular Formula	C14H8N2S2
Molecular Weight	268.3567
NSC Number	38068
SMILES	N#CC1=CC=C(SSC2=CC=C(C#N)C=C2)C=C1
UNII	M45CBN43FR
Synonyms	4,4'-disulfanediyldibenzonitrile, 6339-51-1, Benzonitrile, 4,4'-dithiobis-, 4-[(4-cyanophenyl)disulfanyl]benzonitrile, NSC38068, UNII-M45CBN43FR, M45CBN43FR, NSC 38068, AC1L5VQN, 4,4'-Dithiodibenzonitrile, AC1Q4RS9, bis(4-cyanophenyl) disulfide, SCHEMBL223637, CTK2F5040, DTXSID90212796, ZINC1670425, MFCD00183608, NSC-38068, AKOS024330703, 4,4-DISULFANEDIYLDIBENZONITRILE, MCULE-1118588342, 4-(4-cyanophenyl)disulfanylbenzonitrile, AK363316, AR-1H9275, CID236050, 7203-95-4,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.013g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.352g/mol
Monoisotopic Mass	268.013g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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