AG005GXB

72505-21-6 | 4-(Trifluoromethyl)thiobenzamide

AG005GXB

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CAS Number	72505-21-6
Catalog Number	AG005GXB(AGN-PC-0KK6RG)
Chemical Name	4-(Trifluoromethyl)thiobenzamide
IUPAC Name	4-(trifluoromethyl)benzenecarbothioamide
InChI	InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChI Key	IPRFNMJROWWFBH-UHFFFAOYSA-N
MDL Number	MFCD00051806
Molecular Formula	C8H6F3NS
Molecular Weight	205.2001
SMILES	NC(=S)C1=CC=C(C=C1)C(F)(F)F
Synonyms	4-(Trifluoromethyl)thiobenzamide, 72505-21-6, 4-(trifluoromethyl)benzothioamide, 4-(Trifluoromethyl)benzenecarbothioamide, 4-trifluoromethylthiobenzamide, 4-(trifluoromethyl)benzene-1-carbothioamide, 4-trifluoromethyl-thiobenzamide, Benzenecarbothioamide, 4-(trifluoromethyl)-, MFCD00051806, 4-trifluoromethyl thiobenzamide, 4-(trifluoromethyl)thiobenzamine, 4-(trifluoromethyl) thiobenzamide, IPRFNMJROWWFBH-UHFFFAOYSA-N, amino[4-(trifluoromethyl)phenyl]methane-1-thione, PubChem4576, AC1Q4ZYY, Maybridge1_006395, ACMC-209on3, AC1MC20K, C8H6F3NS, 4-trifluoromethylbenzthioamide, KSC490I2P, 4-Trifuoromethyl thiobenzamide, SCHEMBL261282, SCHEMBL8259382, CTK3J0427, HMS559K15, para-trifluoromethyl thiobenzamide, 4-(Trifluoromethyl)benzenethioamide, 4-trifluoromethyl-benzene-thioamide, KS-00000L7F, ZINC6092673, ANW-36205, CT-370, CT-919, FC0679, SBB028417, AKOS000133368, 4-(TRIFLUORMETHYL)THIOBENZAMIDE, 4-(Trifluoromethyl)thiobenzamide, 98%, ACN-036333, CS-W008000, FS-1613, MCULE-4189446852, RP26153, RTR-023680, TRA0081263, VZ28040, (4-trifluoromethylphenyl)thiocarboxamide, 4-(trifluoromethyl)-benzenecarbothioamide, 4-trifluoromethylbenzene-1-carbothioamide, NCGC00327958-01, AC-24975, AJ-55738, AK-73032, AN-37414, BR-73032, CJ-12900, CS-10333, I364, SC-06531, SY037957, T293, 4-(Trifluoromethyl)benzene-1-carbothiamide, 4-(Trifluoromethyl)benzenecarbothioamide #, AB0001408, DB-055642, ST2418058, TL8005066, TR-023680, 4-(Trifluoromethyl)thiobenzamide, AldrichCPR, FT-0617327, ST50825538, EN300-51529, MFCD00051806 (97%), M-2172, AB01323890-02, 505T216, J-513944, Z744593254, 4-Fluorothiobenzamide, 4- THIOBENZAMIDE, 4-(Trifluoromethylthio)benzamide, ZINC00076923, CID2734823, 4-(trifluoromethoxy)benzene-1-carbothioamide, T2771, A11914, 4-(Trifluoromethyl)thiobenzamide, 99% - 1G 1g,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.198g/mol
Monoisotopic Mass	205.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

Lot Number