AG001990

138485-82-2 | 1H-INDEN-1-ONE, 2,3-DIHYDRO-6-(METHYLTHIO)-

AG001990

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CAS Number	138485-82-2
Catalog Number	AG001990(AGN-PC-003U3U)
Chemical Name	1H-INDEN-1-ONE, 2,3-DIHYDRO-6-(METHYLTHIO)-
IUPAC Name	6-methylsulfanyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C10H10OS/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3
InChI Key	NHJZHQRRHNSFCH-UHFFFAOYSA-N
MDL Number	MFCD08276783
Molecular Formula	C10H10OS
Molecular Weight	178.2508
SMILES	O=C1CCC2=C1C=C(SC)C=C2
Synonyms	6-(Methylthio)-1-indanone, 138485-82-2, 6-(METHYLTHIO)-2,3-DIHYDRO-1H-INDEN-1-ONE, 6-(METHYLSULFANYL)-2,3-DIHYDRO-1H-INDEN-1-ONE, ACMC-20am0u, SCHEMBL6200713, CTK4C1278, DTXSID00568514, 6-(Methylthio)-1-indanone, 96%, ZINC34474420, AKOS022177382, AB44851, 6-(METHYLTHIO)-1-INDANONE 96, AJ-88767, RT-020981, CS-0064125, 2,3-Dihydro-6-(methylthio)-1H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-6-(methylthio)-, J-007139, 14062-24-9,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.249g/mol
Monoisotopic Mass	178.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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