AG00JBZZ

Name: Methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate
Brand: Angene Chemical
SKU: AG00JBZZ

588715-55-3 | Methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate

AG00JBZZ

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CAS Number	588715-55-3
Catalog Number	AG00JBZZ(AGN-PC-0WBYIO)
Chemical Name	Methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate
IUPAC Name	methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate
InChI	InChI=1S/C13H9NO2S2/c1-16-13(15)10-7-11(18-12(10)14-8-17)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key	JBSDRHIJAFAUQI-UHFFFAOYSA-N
MDL Number	MFCD03945365
Molecular Formula	C13H9NO2S2
Molecular Weight	275.3461
SMILES	COC(=O)C1=C(SC(=C1)C1=CC=CC=C1)N=C=S
Synonyms	methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate, 588715-55-3, AC1MMP8F, SCHEMBL3639544, CTK8A7711, JBSDRHIJAFAUQI-UHFFFAOYSA-N, ALBB-003077, ZINC2522257, ZX-AN003057, BBL016984, MFCD03945365, STK438586, AKOS000310002, MCULE-1996027453, TR-053098, ST50844650, Z-0625, CID3264560, Methyl 2-isothiocyanato-5-phenyl-thiophene-3-carboxylate,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.007g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.34g/mol
Monoisotopic Mass	275.007g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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