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888743-90-6 | 3,3':4',3''-Terthiophene, 2',5'-dihydro-5,5''-diiodo-2,2''-dimethyl-
CAS No: 888743-90-6 Catalog No: AG004A2M MDL No:
Product Description
Catalog Number:
AG004A2M
Chemical Name:
3,3':4',3''-Terthiophene, 2',5'-dihydro-5,5''-diiodo-2,2''-dimethyl-
CAS Number:
888743-90-6
Molecular Formula:
C14H12I2S3
Molecular Weight:
530.2490
IUPAC Name:
5-iodo-3-[4-(5-iodo-2-methylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-2-methylthiophene
InChI:
InChI=1S/C14H12I2S3/c1-7-9(3-13(15)18-7)11-5-17-6-12(11)10-4-14(16)19-8(10)2/h3-4H,5-6H2,1-2H3
InChI Key:
FPGUGJMLILMZMH-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1C1=C(CSC1)c1cc(sc1C)I)I
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.819g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.239g/mol
Monoisotopic Mass:
529.819g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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