AG00ECA3

583-42-6 | 6-Fluoro-1h-benzimidazole-2-thiol

AG00ECA3

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CAS Number	583-42-6
Catalog Number	AG00ECA3(AGN-PC-0WAMMX)
Chemical Name	6-Fluoro-1h-benzimidazole-2-thiol
IUPAC Name	5-fluoro-1,3-dihydrobenzimidazole-2-thione
InChI	InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChI Key	XTTJBCKSGKYUMN-UHFFFAOYSA-N
MDL Number	MFCD01029984
Molecular Formula	C7H5FN2S
Molecular Weight	168.1914
SMILES	S=C1NC2=CC=C(F)C=C2N1
Synonyms	583-42-6, 5-Fluoro-1H-benzo[d]imidazole-2(3H)-thione, 6-fluoro-1H-benzimidazole-2-thiol, 5-Fluoro-1,3-dihydro-2h-benzimidazol-2-thione, 5-fluoro-1,3-dihydro-2H-benzimidazole-2-thione, 5-fluoro-1,3-dihydrobenzimidazole-2-thione, 6-Fluoro-1H-benzoimidazole-2-thiol, AK109690, 6-fluorobenzimidazole-2-thiol, 5-fluoro-2-mercaptobenzimidazole, AC1MPGH9, 5-fluoro-2-benzimidazolethiol, SCHEMBL712511, CTK5A8187, CTK7C1332, DTXSID40392451, 2-mercapto-5-fluoro-benzimidazole, XTTJBCKSGKYUMN-UHFFFAOYSA-N, 5-fluoro-1H-benzimidazole-2-thiol, ALBB-004035, ZINC9927090, ZX-AN004005, 5-fluoro-1H-benzoimidazole-2-thiol, 8640AB, BBL005516, FCH842884, MFCD01029984, SBB019016, STK374538, STK501827, 5-fluoro-2-mercapto-1H-benzimidazole, AKOS000297169, AKOS002659273, AKOS005447526, DS-4390, EBD2215427, MCULE-9993748809, KS-00000F56, 5-fluoro-3H-1,3-benzodiazole-2-thiol, 6-Fluoro-1H-benzimidazole-2(3H)-thione, AJ-59630, BBV-38279008, AX8103908, DB-072465, ST4146323, TR-057959, BB 0240725, CS-0043802, FT-0691062, H2818, R9689, 6-fluoro-1H-1,3-benzimidazol-2-ylhydrosulfide, 2H-Benzimidazole-2-thione,5-fluoro-1,3-dihydro-, 5-FLUORO-1,3-DIHYDRO-2H-BENZO[D]IMIDAZOL-2-THIONE, C7H5FN2S, ZINC02571693, CID3434885, 2H-Benzimidazole-2-thione, 5-fluoro-1,3-dihydro- (9CI), N/A,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.016g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.189g/mol
Monoisotopic Mass	168.016g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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