AG008GDJ

86-39-5 | 2-Chloro-9H-thioxanthen-9-one

AG008GDJ

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CAS Number	86-39-5
Catalog Number	AG008GDJ(AGN-PC-0JTW9R)
Chemical Name	2-Chloro-9H-thioxanthen-9-one
EC Number	201-667-2
IUPAC Name	2-chlorothioxanthen-9-one
InChI	InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChI Key	ZCDADJXRUCOCJE-UHFFFAOYSA-N
MDL Number	MFCD00005067
Molecular Formula	C13H7ClOS
Molecular Weight	246.7121
SMILES	ClC1=CC=C2SC3=C(C=CC=C3)C(=O)C2=C1
UNII	RGS87T004B
Synonyms	2-chlorothioxanthen-9-one, 2-Chlorothioxanthone, 86-39-5, 2-Chlorothioxanthen-9-one, 2-Chloro-9H-thioxanthen-9-one, 9H-Thioxanthen-9-one, 2-chloro-, 2-chlorothioxanthene-9-one, UNII-RGS87T004B, 2-Chlorothiaxanthone, MLS000584923, RGS87T004B, ZCDADJXRUCOCJE-UHFFFAOYSA-N, MFCD00005067, AK-96002, SMR000207308, W-104069, EINECS 201-667-2, Sandoray 1050, 2-chloro-thioxanthone, AC1LDHZD, PubChem10692, 2-chloro-9-thioxanthone, AI3-28100, C13H7ClOS, 2-chloro-9-thioxanthenone, ACMC-209q9m, SCHEMBL37075, 2-chloranylthioxanthen-9-one, KSC448A6T, cid_618848, Thioxanthen-9-one, 2-chloro-, CHEMBL1404465, BDBM74837, CTK3E8069, 2-Chlorothioxanthen-9-one, 98%, HMS2577I05, 2-chlorodibenzo[b,e]thian-10-one, 2-chlorodibenzo[b,e]thiin-10-one, 2-Chloro-9H-thioxanthen-9-one #, ZINC5019985, ANW-38312, SBB057736, AKOS000507449, AC-8084, AN-8374, MCULE-9946059876, RP28757, RTR-026905, KS-00000H11, AJ-52978, AS-12064, CC-10318, CJ-12404, SC-17722, SY033135, AX8015021, DB-014095, TL8005611, TR-026905, EU-0066618, FT-0612028, ST24027950, ST45028984, MFCD00005067 (98%), 005C067, C-15057, SR-01000597219, I14-0959, SR-01000597219-1, N-cyclopropyl-4-{[1-(3-methylbutanoyl)piperidin-4-yl]methoxy}benzamide, Zuclopenthixol impurity B, European Pharmacopoeia (EP) Reference Standard, InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7, 2-chlorthioxanthen-9-on, C13H9ClOS, cc-339, C13-H9-Cl-O-S, c0292, CID618848, ZINC05019985, 2-Chlorothioxanthen-9-one, 99% 5g, 2-Chlorothioxanthone, 99% - 25G 25g,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.991g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.708g/mol
Monoisotopic Mass	245.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228
Packing Group	Ⅲ
Precautionary statements	P210
Signal Words	danger
UN Code	UN 1325

Certificate of Analysis

Lot Number