AG008153

118465-49-9 | Methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

AG008153

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CAS Number	118465-49-9
Catalog Number	AG008153(AGN-PC-0LX68K)
Chemical Name	Methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
IUPAC Name	methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
InChI	InChI=1S/C8H7NO2S/c1-11-8(10)6-4-5-2-3-12-7(5)9-6/h2-4,9H,1H3
InChI Key	YBIAQTPXONLBJG-UHFFFAOYSA-N
MDL Number	MFCD07772830
Molecular Formula	C8H7NO2S
Molecular Weight	181.2117
SMILES	O=C(C1=CC(C=CS2)=C2N1)OC
Synonyms	methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate, 118465-49-9, AC1OGC3C, SCHEMBL992605, CTK4B0688, KS-00002ACL, DTXSID90428193, YBIAQTPXONLBJG-UHFFFAOYSA-N, ZINC4277371, MFCD07772830, SBB089808, AKOS004912462, CCG-139070, PS-5087, RP03238, AJ-50109, DB-010149, FT-0745281, Y7192, methyl thiopheno[3,2-d]pyrrole-5-carboxylate, 5-(Methoxycarbonyl)-6H-thieno[2,3-b]pyrrole, K-1287, W-204977, Z379605922, C8H7NO2S, ZINC04277371, CID7164601,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.209g/mol
Monoisotopic Mass	181.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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