AG003B8O

5495-84-1 | 2-Isopropyl-9H-thioxanthen-9-one

AG003B8O

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CAS Number	5495-84-1
Catalog Number	AG003B8O(AGN-PC-0JLS4Z)
Chemical Name	2-Isopropyl-9H-thioxanthen-9-one
EC Number	226-827-9
IUPAC Name	2-propan-2-ylthioxanthen-9-one
InChI	InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3
InChI Key	KTALPKYXQZGAEG-UHFFFAOYSA-N
MDL Number	MFCD00055658
Molecular Formula	C16H14OS
Molecular Weight	254.3468
SMILES	O=c1c2c(sc3c1cccc3)ccc(c2)C(C)C
UNII	54KUS6SE2T
Synonyms	2-isopropyl-9H-thioxanthen-9-one, 2-ITX cpd, isopropyl-9H-thioxanthen-9-one, ITX cpd, 2-Isopropylthioxanthone, 5495-84-1, 2-Isopropyl-9H-thioxanthen-9-one, 2-Isopropyl Thioxanthone, 9H-Thioxanthen-9-one, 2-(1-methylethyl)-, 2-(propan-2-yl)-9H-thioxanthen-9-one, Quantacure itx, Speedcure ITX, UNII-54KUS6SE2T, 2-propan-2-ylthioxanthen-9-one, 54KUS6SE2T, KTALPKYXQZGAEG-UHFFFAOYSA-N, 2-Isopropylthioxantone (ITX), J-650107, W-105594, 2-Isopropyltioxanthone, Photocure ITX-P, Quantacure 597, Quantacure 659, EINECS 226-827-9, 2-Isopropylthioxantone, PubChem13540, ACMC-209lke, AC1L2XT0, AC1Q6E3F, DSSTox_CID_24691, DSSTox_RID_80400, DSSTox_GSID_44691, SCHEMBL41594, 2-Isopropylthioxanthen-9-one, KSC493O2F, 2-Isopropyl-thioxanthene-9-on, 2-Isopropyl-thioxanthen- 9-one, CHEMBL3184930, DTXSID1044691, CTK3J3722, KTALPKYXQZGAEG-UHFFFAOYSA-, 2-Isopropyl-9H-thioxanthen-2-one, ZINC4018711, 9H-Thioxanthen-9-one, 2-isopropyl, Tox21_301537, ANW-32220, MFCD00055658, STK370619, 2-Isopropyl-9H-thioxanthen-9-one #, AKOS001600292, LS40215, MCULE-9643064565, RTR-019406, TRA0059169, VZ24821, NCGC00256279-01, NCGC00330247-01, 2-(methylethyl)dibenzo[b,e]thiin-10-one, 54958-41-7, AC-13339, AS-10938, CC-11102, CJ-11264, 2-(1-Methylethyl)-9H-thioxanthen-9-one, CAS-5495-84-1, 2-Isopropylthioxanthone, analytical standard, DB-021253, TR-019406, EU-0034846, FT-0635755, FT-0719481, I0678, ST50894453, AB01324776-02, 495I841, C-15777, 2-Isopropylthioxantone 100 microg/mL in Acetonitrile, InChI=1/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3, Isopropylthioxanthone, C16H14OS, C16-H14-O-S, CID79633, AR-1E2955, ZINC04018711, 9h-tioxanten-9-ona, 2-(1-metiletil)-, 2-Isopropylthioxanthone, 98% - 100G 100g, 495-84-1, 56676-49-4, ITX,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.077g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.347g/mol
Monoisotopic Mass	254.077g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317-H373
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 2811

Certificate of Analysis

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