AG005AXL

Name: Methyl3-isothiocyanatothiophene-2-carboxylate
Brand: Angene Chemical
SKU: AG005AXL

81321-10-0 | Methyl3-isothiocyanatothiophene-2-carboxylate

AG005AXL

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CAS Number	81321-10-0
Catalog Number	AG005AXL(AGN-PC-0KKY91)
Chemical Name	Methyl3-isothiocyanatothiophene-2-carboxylate
IUPAC Name	methyl 3-isothiocyanatothiophene-2-carboxylate
InChI	InChI=1S/C7H5NO2S2/c1-10-7(9)6-5(8-4-11)2-3-12-6/h2-3H,1H3
InChI Key	RKBLURUDWDTMOB-UHFFFAOYSA-N
MDL Number	MFCD00052589
Molecular Formula	C7H5NO2S2
Molecular Weight	199.2501
SMILES	COC(C1=C(N=C=S)C=CS1)=O
Synonyms	methyl 3-isothiocyanatothiophene-2-carboxylate, 81321-10-0, methyl 3-isothiocyanato-2-thiophenecarboxylate, C7H5NO2S2, 2-Thiophenecarboxylicacid, 3-isothiocyanato-, methyl ester, METHYL3-ISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE, 3-isothiocyanato-2-thiophenecarboxylic acid methyl ester, AC1MCRQB, AC1Q42DT, SCHEMBL2919829, CTK5E8703, DTXSID70380528, RKBLURUDWDTMOB-UHFFFAOYSA-N, ZINC159908, KS-000020US, BBL018379, HTS028101, MFCD00052589, SBB092489, STL185520, AKOS005071393, MCULE-3902223585, RP11682, SC-62564, TR-025591, FT-0628567, ST51001532, T8198, EN300-42575, 8R-1326, I09-2831, J-522188, METHYL 3-ISOISOTHIOCYANATOTHIOPHENE-2-CARBOXYLATE, ZINC00159908, CID2777461,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.976g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.242g/mol
Monoisotopic Mass	198.976g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	99A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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