AG003HOO

15448-99-4 | N-Methylsaccharin

AG003HOO

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CAS Number	15448-99-4
Catalog Number	AG003HOO(AGN-PC-0JKJCA)
Chemical Name	N-Methylsaccharin
EC Number	239-466-7
IUPAC Name	2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI	InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
InChI Key	DDIIAJRLFATEEE-UHFFFAOYSA-N
MDL Number	MFCD00059263
Molecular Formula	C8H7NO3S
Molecular Weight	197.2111
NSC Number	39120
SMILES	O=C(C1=CC=CC=C12)N(C)S2(=O)=O
UNII	T63VBY3AYH
Synonyms	N-Methylsaccharin, 15448-99-4, 2-Methylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide, UNII-T63VBY3AYH, 2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, NSC 39120, T63VBY3AYH, 2-methyl-1,1-dioxo-1,2-benzothiazol-3-one, DDIIAJRLFATEEE-UHFFFAOYSA-N, 2-Methyl-1,2-benzisothiazole-3(2H)-one-1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide, 2-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide, Methylsaccharin, NSC39120, EINECS 239-466-7, AI3-23674, 2-Methyl-1,1-dioxide, AC1L1CWM, SCHEMBL107126, 1,2-Benzisothiazolin-3-one, 2-methyl-, 1,1-dioxide, CHEMBL131790, 1, 2-methyl-, 1,1-dioxide, DTXSID10165639, KS-000013ZW, ZINC1671133, 7756AA, BBL023072, MFCD00059263, NSC-39120, RW3386, STL293362, AKOS016011169, DS-6404, MCULE-4320541414, AJ-29200, AK121869, CJ-27149, DB-007773, 4CH-024790, FT-0080407, FT-0650583, H2468, M0427, ST24040887, 2-methyl-1,1-dioxo-benzo[d]isothiazol-3-one, A20846, 1,2-Benzisothiazolin-3-one, 2-methyl-, 1,1-dioxide (8CI), 2-Methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one, Saccharin methylated, C8H7NO3S, C8-H7-N-O3-S, CID27290, 2-Methylbenzo[d]isothiazol-3(2H)-one1,1-dioxide,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.208g/mol
Monoisotopic Mass	197.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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