AG00ILQZ

87691-88-1 | 3-Piperazinyl-1,2-benzisothiazole, HCl

AG00ILQZ

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CAS Number	87691-88-1
Catalog Number	AG00ILQZ(AGN-PC-0VFXS6)
Chemical Name	3-Piperazinyl-1,2-benzisothiazole, HCl
IUPAC Name	3-piperazin-1-yl-1,2-benzothiazole;hydrochloride
InChI	InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChI Key	DOQLJTKEUIJSKK-UHFFFAOYSA-N
MDL Number	MFCD00674131
Molecular Formula	C11H14ClN3S
Molecular Weight	255.7670
SMILES	Cl[H].C1CN(CCN1)C1=NSC2=C1C=CC=C2
UNII	OSY1987N5V
Synonyms	87691-88-1, 3-Piperazinobenzisothiazole hydrochloride, 144010-02-6, 3-Piperazinyl-1,2-Benzisothiazole Hydrochloride, 3-(Piperazin-1-yl)benzo[d]isothiazole hydrochloride, 3-(1-piperazinyl)-1,2-Benzisothiazole hydrochloride, 3-(Piperazin-1-yl)benzo[d]isothiazole xhydrochloride, UNII-OSY1987N5V, 3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride, 3-(piperazin-1-yl)-1,2-benzothiazole hydrochloride, OSY1987N5V, CHEMBL1204336, 1,2-Benzisothiazole,3-(1-piperazinyl),hydrochloride, 4-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride, 3-(1-Piperazinyl)-1,2-benzisothiazole monohydrochloride, AK-45776, AK-75672, 1,2-benzisothiazole,3-(1-piperazinyl)hcl, 3-(1-Piperazinyl)-1,2-benzisothiazole HCl, C11H14ClN3S, 3-piperazin-1-yl-1,2-benzothiazole hydrochloride, 1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride, 1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride, 1,2-Benzisothiazole, 3-(1-piperazinyl)-, monohydrochloride, MFCD00674131, Ziprasidone related compound A, BITP HCl, 3-Piperazinobenzisothiazolehydrochloride, Ziprasidone related compound A RS [USP], 1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride (1:1), EC 421-310-6, MLS000718830, SCHEMBL1737330, Jsp002576, CTK7D1714, KS-00000DMQ, KS-00000PBE, DTXSID30236557, 3-PIPERAZINOBENZISOTHIAZOLE, DOQLJTKEUIJSKK-UHFFFAOYSA-N, ACN-S003747, ACT02169, BCP13330, BCP21339, ZX-CM008194, ANW-51377, CP-004, CP0043, AKOS015849232, AC-3233, DS-1121, MCULE-4108415299, SB14699, TRA0001675, VT10121, 3-Piperazinyl-1,2-benzisothiazole, HCl, AC-26997, AN-13193, AN-35405, BC206684, BR-45776, L354, SC-45380, SMR000291098, SY004864, 3-Piperazin-1-yl-benzo[d]isothiazole HCl, 3-(1-piperazinyl)-1,2-benzisothiaozolehcl, AB0014659, AB1000242, AX8013180, DB-015196, DB-021567, TL8006161, TR-005602, 3-piperazino-1,2-benzisothiazol hydrochlorid, 4CH-007336, FT-0606283, FT-0616361, ST24028617, ST24041646, 3-piperazin-1-yl-benzoisothiazole hydrochloride, B70017, S-1536, MFCD00674131 (97+%), 010P026, 3-(PIPERAZIN-1-YL)BENZO[D]ISOTHIAZOLE HCL, 3-piperazin-1-yl-1,2-benzothiazole,hydrochloride, 3-piperazin-1-yl-1,2-benzothiazole;hydrochloride, A808152, I01-174, 1-(1,2-benzisothiazol-3-yl)piperazine hydrochoride, 3-(1-piperazinyl)-1,2-benzothiazole hydrochloride, 3-piperazin-1-yl-1,2-benzisothiazole hydrochloride, I13-0034, J-513071, 1,2-benzisothiazole-3-(1-piperazinyl) hydrochloride, 3-(1-piperazinyl)-1,2-benzoisothiazole hydrochloride, 3-(Piperazin-1-yl)-benzo(d)isothiazole hydrochloride, 3-(1-piperazinyl)-1,2-benzisothiaxole monohydrochloride, 1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride (1:), null, ACN-031582, CID11521711, 3-(1-Piperazinyl)-1,2-BenzisothiazoleHcl, CP-78,459-1, 3-Piperazinyl-1,2-benzisothiazolehydrochloride, 3-(piperazin-1-yl)-benzo[d]isothiazole hydrochloride, 3-Piperazinyl-1,2-benzisothiazole hydrochloride, 98% - 1G 1g, 9-piperazin-1-yl-7-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraene Hydrochloride, 87691-87-0,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.06g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.764g/mol
Monoisotopic Mass	255.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number