AG003M2I

7366-56-5 | (4-Carboxyphenyl)thiourea

AG003M2I

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CAS Number	7366-56-5
Catalog Number	AG003M2I(AGN-PC-0JVO99)
Chemical Name	(4-Carboxyphenyl)thiourea
EC Number	230-910-5
IUPAC Name	4-(carbamothioylamino)benzoic acid
InChI	InChI=1S/C8H8N2O2S/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChI Key	FOYDMXZTPAEILY-UHFFFAOYSA-N
MDL Number	MFCD00041187
Molecular Formula	C8H8N2O2S
Molecular Weight	196.2263
NSC Number	49255
SMILES	O=C(O)C1=CC=C(NC(N)=S)C=C1
Synonyms	4-Thioureidobenzoic acid, 7366-56-5, 4-(2-Thioureido)benzoic acid, 1-(4-Carboxypheny)-2-thiourea, 4-(carbamothioylamino)benzoic acid, 1-(4-carboxyphenyl)-2-thiourea, (4-carboxyphenyl)thiourea, 4-Thioureido-benzoic acid, 4-[(Aminothioxomethyl)amino]benzoic acid, 4-[(aminocarbonothioyl)amino]benzoic acid, MFCD00041187, AK161776, Benzoic acid,4-[(aminothioxomethyl)amino]-, Benzoic acid, 4-[(aminothioxomethyl)amino]-, EN300-15038, n-(4-carboxyphenyl)thiourea, 4-(carbamothioylamino)benzoicacid, EINECS 230-910-5, 4-carboxyphenylthiourea, AC1LEHMC, 4-carboxyphenyl thiourea, AC1Q7EJM, 4-thio-ureido-benzoic acid, Oprea1_411516, KSC638I4P, SCHEMBL1110923, CTK5D8447, DTXSID40223872, FOYDMXZTPAEILY-UHFFFAOYSA-N, HMS1786G06, N-Phenylthiourea-4-carboxylic acid, AC1Q5033, NSC49255, ZINC5839907, 8999AE, BBL007264, EBD218806, FCH916625, HTS027992, NSC-49255, STL141127, AKOS001044967, CHM0016799, DS-7380, MCULE-1989860735, VZ20932, KS-0000116Y, AJ-73381, CC-02186, AB0061902, AX8011138, TR-023885, 4CH-023241, BB 0242799, FT-0604750, ST24044003, ST50171239, Y-8746, A837888, C-08960, I09-2372, C8H8N2O2S, C8-H8-N2-O2-S, AR-1F6744, CID736216, (4-Carboxyphenyl)thiourea, 97% - 1G 1g, 7414-92-8,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	196.224g/mol
Monoisotopic Mass	196.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number