AG019JBI

Name: 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG019JBI

82145-84-4 | 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoic acid

AG019JBI

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CAS Number	82145-84-4
Catalog Number	AG019JBI(AGN-PC-0WCN7F)
Chemical Name	4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoic acid
IUPAC Name	4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C15H11NO2S2/c17-14(18)11-7-5-10(6-8-11)9-19-15-16-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,18)
InChI Key	XAZGUJUGDDLSEK-UHFFFAOYSA-N
MDL Number	MFCD01305170
Molecular Formula	C15H11NO2S2
Molecular Weight	301.3833
SMILES	OC(C1=CC=C(CSC2SC3=C(C=CC=C3)N=2)C=C1)=O
Synonyms	4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid, 82145-84-4, 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoic acid, IFLab1_003799, Oprea1_364992, SCHEMBL10687158, CTK7I7950, ZINC68323, HMS1422M15, STK791069, AKOS001054481, MCULE-5181910855, IDI1_009906, 4-(benzothiazol-2-ylthiomethyl)benzoic acid, ST4037819, EN300-09035, L-4467, F0786-0014, AC1LEYWW, AC1Q73B3, CID694809, 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid, A1771/0075041,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.023121g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.4g/mol
Monoisotopic Mass	301.023121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	104Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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