AG002124

17557-67-4 | 2-Benzothiazolamine, 6-(methylsulfonyl)-

AG002124

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CAS Number	17557-67-4
Catalog Number	AG002124(AGN-PC-0JLWLZ)
Chemical Name	2-Benzothiazolamine, 6-(methylsulfonyl)-
EC Number	241-537-2
IUPAC Name	6-methylsulfonyl-1,3-benzothiazol-2-amine
InChI	InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChI Key	ZYHNHJAMVNINSY-UHFFFAOYSA-N
MDL Number	MFCD00179133
Molecular Formula	C8H8N2O2S2
Molecular Weight	228.2913
SMILES	C1=C2C(=CC=C1[S](C)(=O)=O)N=C(S2)N
Synonyms	17557-67-4, 2-Amino-6-(methylsulfonyl)benzothiazole, 6-(methylsulfonyl)-1,3-benzothiazol-2-amine, 2-Amino-6-methylsulfonylbenzothiazole, 2-Benzothiazolamine, 6-(methylsulfonyl)-, 6-methanesulfonyl-1,3-benzothiazol-2-amine, 6-(methylsulfonyl)benzo[d]thiazol-2-amine, 6-methylsulfonyl-1,3-benzothiazol-2-amine, 2-Aminobenzothiazole-6-methyl sulfone, 6-(Methylsulfonyl)-2-benzothiazolamine, EINECS 241-537-2, 2-Aminobenzothiazolyl-6 methyl sulfone, 6-Methylsulphonylbenzothiazol-2-ylamine, CHEMBL432942, ZYHNHJAMVNINSY-UHFFFAOYSA-N, 6-Methanesulfonyl-benzothiazol-2-ylamine, 6-(Methylsulfonyl)benzothiazole-2-ylamine, 2-Amino-6-[methylsulfonyl]benzothiazole, PubChem10344, AC1Q4GJW, Maybridge1_008993, AC1Q6UK2, MixCom3_000185, 2-amino-6-(methylsulfonyl), Oprea1_366974, KSC495O3N, MLS000084909, BIDD:GT0409, SCHEMBL686784, AC1L3D26, Jsp003597, DTXSID4051796, CTK3J5736, KS-00000FJU, HMS2357K17, ZINC129448, ACT02314, EBD27197, 6-methylsulfonyl-2-aminobenzothiazole, AC-062, ANW-50781, BDBM50335097, CCG-52088, MFCD00179133, SBB042456, STK374502, 2-amino-6-methanesulfonylbenzothiazole, AKOS000119152, 2-Amino-6-(methylsulfonyl)benzothiazol, 6-(methylsulfonyl)benzothiazol-2-amine, 6-Methanesulfonylbenzothiazol-2-ylamine, 6-Methanesulphonyl-2-aminobenzothiazole, CS-W010405, FS-3036, MCULE-3511367981, RP27761, RTR-007989, SDCCGMLS-0054993.P002, TRA0065026, VT10063, 2-amino-6-methanesulfonyl-benzothiazole, AJ-12087, AK-33732, AN-16193, BC202231, BR-33732, CJ-00982, LS-40631, SC-01809, SMR000019255, ZB004552, DB-027798, TR-007989, AM20030165, FT-0083602, FT-0611193, ST24029594, ST45255469, 6-(methylsulfonyl)-1,3-benzothiazol-2-ylamine, S-1840, I09-0981, SR-01000616101-2, W-107846, 6-(Methylsulfonyl)-1,3-benzothiazol-2(3H)-imine #, BRD-K50180361-001-08-0, F0901-0841, Z1245636353, EUE, InChI=1/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10, C8H8N2O2S2, Hexamethylenediamine phosphate, CID87152, C8-H8-N2-O2-S2, AR-1D9024, 6-Methylsulfonyl)-2-benzothiazolamine, A15304, 178686-24-3,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.003g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.284g/mol
Monoisotopic Mass	228.003g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number