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1194605-72-5 | 1-Hexanone, 1-(4,6-dihydrothieno[3,4-b]thien-2-yl)-2-ethyl-
CAS No: 1194605-72-5 Catalog No: AG000IU4 MDL No:MFCD22493460
Product Description
Catalog Number:
AG000IU4
Chemical Name:
1-Hexanone, 1-(4,6-dihydrothieno[3,4-b]thien-2-yl)-2-ethyl-
CAS Number:
1194605-72-5
Molecular Formula:
C14H20OS2
Molecular Weight:
268.4380
MDL Number:
MFCD22493460
IUPAC Name:
1-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-2-ethylhexan-1-one
InChI:
InChI=1S/C14H20OS2/c1-3-5-6-10(4-2)14(15)12-7-11-8-16-9-13(11)17-12/h7,10H,3-6,8-9H2,1-2H3
InChI Key:
QECXUUREYNIHHP-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)c1sc2c(c1)CSC2)CC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.433g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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