AG003AHN

2527-66-4 | 2-Methyl-1,2-benzisothiazol-3(2H)-one

AG003AHN

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CAS Number	2527-66-4
Catalog Number	AG003AHN(AGN-PC-0JQ9L4)
Chemical Name	2-Methyl-1,2-benzisothiazol-3(2H)-one
IUPAC Name	2-methyl-1,2-benzothiazol-3-one
InChI	InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChI Key	RDWXSJCICPOOKO-UHFFFAOYSA-N
MDL Number	MFCD02311302
Molecular Formula	C8H7NOS
Molecular Weight	165.2123
NSC Number	520046
SMILES	CN1SC2=C(C1=O)C=CC=C2
UNII	81PV9X5Y68
Synonyms	2527-66-4, Mbit, UNII-81PV9X5Y68, 2-methyl-1,2-benzothiazol-3-one, 2-Methylbenzo[d]isothiazol-3(2H)-one, 1,2-benzisothiazol-3(2H)-one, 2-methyl-, KUC103657N, NSC-520046, MLS003116052, 81PV9X5Y68, 2-methyl-1,2-benzisothiazol-3(2H)-one, NSC520046, 2-Methyl-1,2-benzoisothiazolin-3-one, AC1L6XXI, SCHEMBL50008, cid_351236, CHEMBL1710047, BDBM61908, DTXSID00325841, RDWXSJCICPOOKO-UHFFFAOYSA-N, KUC103657, n-methyl-1,2-benzisothiazolin-3-one, KUC103657N-02, ACN-053712, KSC-325-045, SMR001831607, 2-Methyl-1,2-benzoisothiazole-3(2H)-one, InChI=1/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H, CID351236,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.21g/mol
Monoisotopic Mass	165.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

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