AG007KYW

26638-53-9 | 3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine

AG007KYW

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CAS Number	26638-53-9
Catalog Number	AG007KYW(AGN-PC-003387)
Chemical Name	3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine
EC Number	247-865-2
IUPAC Name	3-chloro-6-methyl-5,5-dioxobenzo[c][2,1]benzothiazepin-11-one
InChI	InChI=1S/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3
InChI Key	RGOFXWXKWORKIP-UHFFFAOYSA-N
MDL Number	MFCD07368146
Molecular Formula	C14H10ClNO3S
Molecular Weight	307.7521
SMILES	ClC3=CC1=C(C(C2=C(N([S]1(=O)=O)C)C=CC=C2)=O)C=C3
Synonyms	26638-53-9, 3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5,11-TRIOXODIBENZO[C,F][1,2]THIAZEPINE, 3-CHLORO-6-METHYL-DIBENZO[C,F][1,2]THIAZEPIN-11(6H)-ONE 5,5-DIOXIDE, 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-Dioxide, C14H10ClNO3S, 3-Chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one5,5-dioxide, 3-Chloro-6,11,-dihydro-6-methyl,5,511-trioxodibenzo[c,f][1,2]thiazepine, AK-25682, 3-Chloro-6-methyl-dibenzo(c,f)(1,2)thiazepin-11(6H)-one 5,5-dioxide, Q-100334, EINECS 247-865-2, SCHEMBL4258034, CTK4F8273, KS-00000J7W, 8-chloro-10-dioxo-11-methyl-dibenzo[c,f] [1,2]thiazepine-5-one, AC-231, ANW-49845, MFCD07368146, ZINC21298811, AKOS015889342, CM11031, AJ-78218, AN-11681, BC208196, BR-25682, CJ-16847, DS-10535, SC-52408, SY030958, AB0028076, AX8019834, ST2410640, TC-138590, TL8002121, 4CH-009811, AM20040055, FT-0651577, X0079, MFCD07368146 (95%), S-2259, 638C539, A818540, I01-1871, 3-Chloro-6,11-dihydro-6-methyl-5,5,11 Ctrioxodibenz, 3-chloro-6-methyl-5,5-dioxo-11-benzo[c][2,1]benzothiazepinone, 3-chloro-6-methyl-5,5-dioxo-benzo[c][2,1]benzothiazepin-11-one, 8-chloro-10-dioxo-11-methyl-dibenzo[c,f][1,2]thiazepine-5-one, 3-Chloro-6,11-dihydro-6-methyl,5,511-trioxodibenzo[c,f][1,2]thiazepine, 3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenz[c,f][1,2]thiazeptine, Dibenzo[c,f][1,2]thiazepin-11(6H)-one,3-chloro-6-methyl-, 5,5-dioxide, 3-chloranyl-6-methyl-5,5-bis(oxidanylidene)benzo[c][2,1]benzothiazepin-11-one, 6-chloro-10-methyl-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9,9-trione, 6-chloro-10-methyl-9??-thia-10-azatricyclo[9.4.0.0(3),?]pentadeca-1(15),3,5,7,11,13-hexaene-2,9,9-trione, Tianeptine intermediate, RGOFXWXKWORKIP-UHFFFAOYSA-N, C14-H10-Cl-N-O3-S, ACN-040779, 3-Chloro-6,11,-dihydro-6-methyl,5,511-trioxodibenzo[c,f][1,2]thi azepine,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.007g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.748g/mol
Monoisotopic Mass	307.007g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number