AG00G50I

773881-43-9 | 5-octyl-5H-thieno[3,4-c]pyrrole-4,6-dione

AG00G50I

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CAS Number	773881-43-9
Catalog Number	AG00G50I(AGN-PC-0HF2Q6)
Chemical Name	5-octyl-5H-thieno[3,4-c]pyrrole-4,6-dione
IUPAC Name	5-octylthieno[3,4-c]pyrrole-4,6-dione
InChI	InChI=1S/C14H19NO2S/c1-2-3-4-5-6-7-8-15-13(16)11-9-18-10-12(11)14(15)17/h9-10H,2-8H2,1H3
InChI Key	QMNVUZQWXKLEFP-UHFFFAOYSA-N
MDL Number	MFCD23703118
Molecular Formula	C14H19NO2S
Molecular Weight	265.3712
SMILES	O=C1C2=CSC=C2C(N1CCCCCCCC)=O
Synonyms	5-Octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione, 773881-43-9, 5-octylthieno[3,4-c]pyrrole-4,6-dione, AK123246, SCHEMBL1690112, DTXSID00736478, N-Octylthiophene-3,4-dicarbimide, KS-00000R6W, 2115AC, MFCD23703118, N-n-Octyl-3,4-thiophenedicarboximide, AKOS016011885, ZINC100070989, DS-6911, SC-52848, AX8247424, FT-0742176, O0394, ST24044933, 5-octyl-5H-thieno[3,4-c]pyrrole-4,6-dione, 5-Octylthieno[3,4-c]pyrrole-4,6-dione, >=99%, 5-n-Octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione, 5-Octyl-4H -thieno[3,4-c ]pyrrole-4,6(5H )-dione, C14H19NO2S,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.114g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.371g/mol
Monoisotopic Mass	265.114g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number