AG002U7Y

27603-25-4 | 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-

AG002U7Y

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CAS Number	27603-25-4
Catalog Number	AG002U7Y(AGN-PC-0LLYZO)
Chemical Name	1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
EC Number	809-978-0
IUPAC Name	2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
InChI	InChI=1S/C4H3F3N2O2S2/c1-13(10,11)3-9-8-2(12-3)4(5,6)7/h1H3
InChI Key	SQLPTSMJAQPVKR-UHFFFAOYSA-N
MDL Number	MFCD04092021
Molecular Formula	C4H3F3N2O2S2
Molecular Weight	232.2040
SMILES	CS(=O)(=O)C1=NN=C(S1)C(F)(F)F
Synonyms	27603-25-4, 2-(Methylsulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole, 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-, 2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole, C4H3F3N2O2S2, EC 809-978-0, AC1NN50A, SCHEMBL2207938, CTK8C0971, 2-(trifluoromethyl)-5-(methylsulfonyl)-1,3,4-thiadiazole, SQLPTSMJAQPVKR-UHFFFAOYSA-N, ACT10353, ZINC4667670, ANW-65590, MFCD04092021, AKOS016005586, AJ-51865, AK-90121, DA-19523, DS-16796, SY128065, TC-154335, FT-0759877, X5558, MFCD04092021 (95%), 2-methylsulphonyl-5-trifluoromethyl-1,3,4-thiadiazole, 2-methanesulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole, ACN-S004837, C4-H3-F3-N2-O2-S2, CID5062481,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.959g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.195g/mol
Monoisotopic Mass	231.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	96.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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