AG00BF78

Name: BH3I-1
Brand: Angene Chemical
SKU: AG00BF78

300817-68-9 | BH3I-1

AG00BF78

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CAS Number	300817-68-9
Catalog Number	AG00BF78(AGN-PC-0K6ON9)
Chemical Name	BH3I-1
IUPAC Name	2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
InChI	InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)
InChI Key	COHIEJLWRGREHV-UHFFFAOYSA-N
MDL Number	MFCD03453544
Molecular Formula	C15H14BrNO3S2
Molecular Weight	400.3106
SMILES	O=C(O)C(C(C)C)N(C/1=O)C(SC1=CC2=CC=C(Br)C=C2)=S
Synonyms	BH3I-1, 300817-68-9, BH3I 1, CBDivE_015522, AC1MDLS4, BHI1, SCHEMBL158041, BH 3I1, CTK8E7188, 2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, BCP17483, KS-00001CM2, MCULE-9914686114, AK547723, 2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, CID2838988,

Complexity	513
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	398.96g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	400.305g/mol
Monoisotopic Mass	398.96g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	1
XLogP3	4.6

GHS Hazard and Precautionary Statements

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