AG007DOP

1080026-94-3 | Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate

AG007DOP

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CAS Number	1080026-94-3
Catalog Number	AG007DOP(AGN-PC-07CNBI)
Chemical Name	Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
IUPAC Name	ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
InChI	InChI=1S/C10H13NO2S/c1-2-13-10(12)9-5-7-6-11-4-3-8(7)14-9/h5,11H,2-4,6H2,1H3
InChI Key	HLYOOHYZCZJODO-UHFFFAOYSA-N
MDL Number	MFCD10566074
Molecular Formula	C10H13NO2S
Molecular Weight	211.2807
SMILES	S1C2=C(C=C1C(=O)OCC)CNCC2
Synonyms	ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate, 1080026-94-3, ethyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylate, SCHEMBL1174225, CTK8B5847, KS-00000HNI, DTXSID40670408, HLYOOHYZCZJODO-UHFFFAOYSA-N, ANW-50509, ZINC36220487, AKOS005264203, DS-0370, FS-2784, RP26626, SB13970, VP13504, AJ-92505, AK-24575, BR-24575, EN002447, SC-28950, SY033497, AB0034670, DB-059672, TR-001891, 4CH-008462, FT-0648337, ST24030583, X8860, MFCD10566074 (95%), S-6745, I09-1711, I09-1776, J-520948, Ethyl 4,5,6,7-tetrahydrothieno-[3,2-c]pyridine-2-carboxylate, ETHYL 4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CA, C10H13NO2S, Ethyl4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.067g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.279g/mol
Monoisotopic Mass	211.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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