AG00FC2G

Name: CBR-5884
Brand: Angene Chemical
SKU: AG00FC2G

681159-27-3 | CBR-5884

AG00FC2G

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CAS Number	681159-27-3
Catalog Number	AG00FC2G(AGN-PC-0WNHCL)
Chemical Name	CBR-5884
IUPAC Name	ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate
InChI	InChI=1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
InChI Key	QBVIRPJBDIZKBC-UHFFFAOYSA-N
MDL Number	MFCD04451442
Molecular Formula	C14H12N2O4S2
Molecular Weight	336.3861
SMILES	O=C(C1=CC=CO1)NC2=C(SC#N)C(C)=C(C(OCC)=O)S2
Synonyms	CBR-5884, 681159-27-3, CHEMBL4070806, CBR 5884, ethyl 4-(cyanosulfanyl)-5-(furan-2-amido)-3-methylthiophene-2-carboxylate, ethyl 5-(furan-2-carboxamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate, AC1NGHI1, SCHEMBL19066920, BCP20657, ZINC4088272, BDBM50230362, AKOS024581178, CS-5648, MCULE-4347502728, HY-100012, CBR-5884, >=98% (HPLC), SR-01000006904, SR-01000006904-1, F0536-0425, ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate, Ethyl 5-[(2-furanylcarbonyl)amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylate, ZINC04088272, CID4674993, A16176, N/A,

Complexity	479
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	336.024g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	336.38g/mol
Monoisotopic Mass	336.024g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	146A^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