AG002D57

2010-15-3 | 4-Imidazolidinone, 3-phenyl-2-thioxo-

AG002D57

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CAS Number	2010-15-3
Catalog Number	AG002D57(AGN-PC-0JV4VB)
Chemical Name	4-Imidazolidinone, 3-phenyl-2-thioxo-
EC Number	217-927-3
IUPAC Name	3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI	InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChI Key	ZZRIQDWDJVLELF-UHFFFAOYSA-N
MDL Number	MFCD00027413
Molecular Formula	C9H8N2OS
Molecular Weight	192.2376
SMILES	S=C(N1C2=CC=CC=C2)NCC1=O
Synonyms	Phenylthiohydantoin, 3-Phenyl-2-thiohydantoin, Pth-glycine, 2010-15-3, 3-Phenyl-2-thioxoimidazolidin-4-one, PHENYLTHIOHYDANTOIN, Phenylthiohydantoin glycine, 3-Phenyl-2-thioguidanthion, Hydantoin, 3-phenyl-2-thio-, 4-Imidazolidinone, 3-phenyl-2-thioxo-, Glycine, 3-phenyl-2-thiohydantoin, 2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one, 3-phenyl-2-sulfanylideneimidazolidin-4-one, EINECS 217-927-3, 3-Phenyl-2-thioxo-4-imidazolidinone, BRN 0152535, 1-phenyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one, MFCD00027413, 3-phenyl-2-thioxo-1,3-diazolidin-4-one, AE-534/30091006, AC1LDT4G, AC1Q7GFY, TimTec1_001195, CHEMBL201185, SCHEMBL2489614, CTK7H4380, Phenylthiohydantoin-glycine, 98%, ZZRIQDWDJVLELF-UHFFFAOYSA-N, HMS1537G07, HMS1649E20, ZINC2385235, FCH916603, SBB012392, STK398317, STK973122, 4-Imidazolidinone,3-phenyl-2-thioxo-, AKOS000305466, AKOS000369745, MCULE-6110224153, NE31798, NCGC00174688-01, LS-76282, ST013889, 3-phenyl-2-sulfanylidene-4-imidazolidinone, DB-045088, 3-phenyl-2-sulfanylidene-imidazolidin-4-one, FT-0633975, P0376, EN300-12518, 2-mercapto-3-phenyl-3,5-dihydro-imidazol-4-one, 12M-008, A814244, SR-01000410650, J-509767, SR-01000410650-1, 3-phenyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one, I14-59342, F0165-0164, Phenylthiohydantoin-glycine, C9H8N2OS, C9-H8-N2-O-S, CID700731, 5-24-05-00245 (Beilstein Handbook Reference),

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.236g/mol
Monoisotopic Mass	192.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.4A^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	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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