AG001CQ3

14070-48-5 | Acetamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-

AG001CQ3

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CAS Number	14070-48-5
Catalog Number	AG001CQ3(AGN-PC-0JVB2J)
Chemical Name	Acetamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-
EC Number	237-924-0
IUPAC Name	N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide
InChI	InChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16)
InChI Key	SCWKACOBHZIKDI-UHFFFAOYSA-N
MDL Number	MFCD00603728
Molecular Formula	C9H9N5OS
Molecular Weight	235.2657
SMILES	SC1=NN=NN1C2=CC=CC(NC(C)=O)=C2
Synonyms	14070-48-5, 1-(3-Acetamidophenyl)-5-mercaptotetrazole, N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)acetamide, N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide, C9H9N5OS, 1-(3-Acetamidophenyl)tetrazole-5-thiol, N-[3-(5-sulfanyl-1H-tetrazol-1-yl)phenyl]acetamide, Acetamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-, 1-(3-Acetamide)phenyl-5-thio-1,2,3,4-tetrazole, 1-(3-Acetaminophenyl)-5-mercapto-1H-tetrazole, N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide, N-[3-(5-sulfanyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide, Acetamide, N-(3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)-, 1-(3-Acetamidophenyl)-1H-tetrazole-5-thiol, N-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]acetamide, EINECS 237-924-0, AC1LEHUD, PubChem13223, ACMC-20aj5a, AC1Q1KMO, AC1Q7F7X, Oprea1_332745, SCHEMBL1537861, DTXSID7065700, SCHEMBL11313209, CTK4C2319, SCWKACOBHZIKDI-UHFFFAOYSA-N, KS-00000N6S, ZINC5685873, BBL000683, CA-996, CCG-55279, MFCD00603728, SBB068352, STK367131, AKOS000121935, AKOS015915360, MCULE-1355503284, VZ20891, AC-27843, AK400300, AN-19249, DS-13202, I093, AB0013478, DB-018491, TC-164485, FT-0605601, ST51048735, T7394, 1-(3-Acetylamino phenyl)-5-mercaptotetrazole, EN300-31030, 3'-(5-Mercapto-1H-tetrazol-1-yl)acetanilide, 070A485, A807685, I14-6353, N-[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]acetamide, SR-01000644312-1, N-[3-(5-sulfanyl-1,2,3,4-tetraazolyl)phenyl]acetamide, N-[3-(5-thioxo-1,2,3,4-tetraazolinyl)phenyl]acetamide, Z324553052, N-[3-(5-sulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]acetamide, 1-(3-Acetamidophenyl)-5-mercaptotetrazole(3-Acetamido PMT), Acetamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-, N-(3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl)acetamide, N-[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]ethanamide, Not Available, C9-H9-N5-O-S, AR-1K3837, CID712430, ZINC00105347, 1-(m-Acetamido)Pheny-5-mercaptotetrazole, A1352, Acetamide, N-[3-(2,5-dihydro-5-thioxo- 1H-tetrazol-1-yl)phenyl]-, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide, 21118-77-4,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.265g/mol
Monoisotopic Mass	235.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number