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1231160-82-9 | 4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 5-(2-ethylhexyl)-
CAS No: 1231160-82-9 Catalog No: AG000K1J MDL No:MFCD23703119
Product Description
Catalog Number:
AG000K1J
Chemical Name:
4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 5-(2-ethylhexyl)-
CAS Number:
1231160-82-9
Molecular Formula:
C14H19NO2S
Molecular Weight:
265.3712
MDL Number:
MFCD23703119
IUPAC Name:
5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
InChI:
InChI=1S/C14H19NO2S/c1-3-5-6-10(4-2)7-15-13(16)11-8-18-9-12(11)14(15)17/h8-10H,3-7H2,1-2H3
InChI Key:
PCLDQMLVTDTSOU-UHFFFAOYSA-N
SMILES:
CCCCC(CN1C(=O)c2c(C1=O)csc2)CC
Properties
Complexity:
310
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:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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