AG003D3F

54230-59-0 | 1-(Mesitylsulfonyl)-1H-1,2,4-triazole

AG003D3F

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CAS Number	54230-59-0
Catalog Number	AG003D3F(AGN-PC-0JSA1Y)
Chemical Name	1-(Mesitylsulfonyl)-1H-1,2,4-triazole
EC Number	259-034-1
IUPAC Name	1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
InChI	InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3
InChI Key	XNKYPZJMRHXJJQ-UHFFFAOYSA-N
MDL Number	MFCD00003097
Molecular Formula	C11H13N3O2S
Molecular Weight	251.3048
SMILES	O=S(N1N=CN=C1)(C2=C(C)C=C(C)C=C2C)=O
Synonyms	1-(mesitylen-2-sulfonyl)-1H-1,2,4-triazole, MsSO2-triazole, 54230-59-0, 1-(Mesitylsulfonyl)-1H-1,2,4-triazole, 1-(2-Mesitylenesulfonyl)-1H-1,2,4-triazole, 1-(Mesitylen-2-sulfonyl)-1H-1,2,4-triazole, 1-(2-Mesitylenesulfonyl)-1,2,4-triazole, 1-MESITYLENESULFONYL-1,2,4-TRIAZOLE, MST, 1-(2-Mesitylenesulfonyl)-1H-1,2,4-triazole, N-Mesitylenesulfonyl-1,2,4-triazole, 1-(2-Mesitylsulfonyl)-1H-1,2,4-triazole, 1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole, J-503027, 1-[(2,4,6-trimethylphenyl)sulfonyl]-1,2,4-triazole, EINECS 259-034-1, Mesityl 1,2,4-triazole-1-sulphonate, AC1LAVNM, SCHEMBL2386706, CTK5A0091, ZINC57617, DTXSID60202583, XNKYPZJMRHXJJQ-UHFFFAOYSA-N, ANW-60546, MFCD00003097, SBB056762, AKOS016003324, MCULE-2087543789, Mesitylenesulfonyl-1H-1,2,4-triazole, RL04014, KS-000010O4, TRA-0196763, AJ-09753, AS-11374, CC-04688, ZB002186, AX8059224, ST2415095, TC-149291, 1-(Mesitylsulfonyl)-1H-1,2,4-triazole #, FT-0607996, ST50411527, M-1587, C-33765, MTST1-(2-Mesitylenesulfonyl)-1H-1,2,4-triazole, 1-(2,4,6-trimethylbenzenesulfonyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole,1-[(2,4,6-trimethylphenyl)sulfonyl]-, 1H-1,2,4-Triazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-, C11H13N3O2S, C11-H13-N3-O2-S, CID521491, ZINC00057617, MST,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.073g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.304g/mol
Monoisotopic Mass	251.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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