AG00DAB2

Name: PIT-1
Brand: Angene Chemical
SKU: AG00DAB2

53501-41-0 | PIT-1

AG00DAB2

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CAS Number	53501-41-0
Catalog Number	AG00DAB2(AGN-PC-0KY7YP)
Chemical Name	PIT-1
IUPAC Name	N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
InChI	InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)
InChI Key	RIGXBXPAOGDDIG-UHFFFAOYSA-N
MDL Number	MFCD00761149
Molecular Formula	C14H10ClN3O4S
Molecular Weight	351.7649
SMILES	O=C(NC(NC1=CC([N+]([O-])=O)=CC(Cl)=C1O)=S)C2=CC=CC=C2
Synonyms	PIT 1, 53501-41-0, PIT-1, N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide, N-[[(3-Chloro-2-hydroxy-5-nitrophenyl)amino]thioxomethyl]benzamide, CBMicro_008144, N-{[(3-chloro-2-hydroxy-5-nitrophenyl)amino]thioxomethyl}benzamide, RIGXBXPAOGDDIG-UHFFFAOYSA-N, AC1MUDJ9, PIT 1/, SCHEMBL9289577, CHEMBL3596523, DTXSID20394812, BDBM112784, BCP27689, SMSF0006015, ZINC4954743, ABP000450, STL043906, AKOS005697387, MCULE-8548476492, US8628961, PIT-1, ST097600, BIM-0008258.P001, B7601, FT-0756123, N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide, Benzamide, N-[[(3-chloro-2-hydroxy-5-nitrophenyl)amino]thioxomethyl]-, C14H10ClN3O4S, CB11049, CID3664359,

Complexity	467
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	351.008g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	351.761g/mol
Monoisotopic Mass	351.008g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited