AG00FD5A

68744-64-9 | 5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE-3(2H)-THIONE HYDRATE

AG00FD5A

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CAS Number	68744-64-9
Catalog Number	AG00FD5A(AGN-PC-0KK064)
Chemical Name	5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE-3(2H)-THIONE HYDRATE
EC Number	272-137-6
IUPAC Name	5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI	InChI=1S/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)
InChI Key	GNXURBGECTYCRJ-UHFFFAOYSA-N
MDL Number	MFCD11205085
Molecular Formula	C3H2F3N3S
Molecular Weight	169.1283
SMILES	SC1=NN=C(C(F)(F)F)N1
Synonyms	68744-64-9, 5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 5-(Trifluoromethyl)-4H-1,2,4-triazole-3(2H)-thione, 3-(trifluoromethyl)-1H-1,2,4-triazole-5-thiol, GNXURBGECTYCRJ-UHFFFAOYSA-N, 5-Trifluoromethyl-4H-1,2,4-triazole-3(2H)thione, 5-(trifluoromethyl)-4h-1,2,4-triazole-3(2h)thione, 5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione, 5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE-3(2H)-THIONE HYDRATE,97%, EINECS 272-137-6, AC1MC4DO, SCHEMBL688580, SCHEMBL8628938, CHEMBL1935513, CTK5C8388, ZINC4716371, ZX-AP008791, 8153AE, MFCD00044613, SBB088231, AKOS005173646, AKOS022617903, GS-1966, KS-000025U7, 3-trifluoromethyl-1,2,4-triazole-5-thiol, FT-0620785, 3-(trifluoromethyl)-1,2,4-triazoline-5-thione, 5-(Trifluoromethyl)-4H-s-triazole-3(2H)thione, 5-(trifluoromethyl)-1H-1,2,4-triazole-3-thiol, 5-Trifluoromethyl-1H-(1,2,4)-triazole-3-thiol, A836232, 5-(Trifluoromethyl)-1,2,4-triazolin-3(2H)-thione, I09-2780, 2-[1,2,4]-Triazoline-5-thione, 3-trifluoromethyl-, 5-Trifluoromethyl-4H-1,2,4-triazole-3(2H)-thione, 5-(trifluoromethyl)-2,4-dihydro-1,2,4-triazole-3-thione, 1,2-Dihydro-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(trifluoromethyl)-, 5-(Trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione #, C3H2F3N3S, C3-H2-F3-N3-S, ZINC03861580, CID2724175,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.992g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.125g/mol
Monoisotopic Mass	168.992g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^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-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number