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1773-31-5 | 1H-Imidazole, 2,2'-[1,3-propanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI)
CAS No: 1773-31-5 Catalog No: AG002588 MDL No:
Product Description
Catalog Number:
AG002588
Chemical Name:
1H-Imidazole, 2,2'-[1,3-propanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI)
CAS Number:
1773-31-5
Molecular Formula:
C9H18Br2N4S2
Molecular Weight:
406.2040
IUPAC Name:
2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C9H16N4S2/c1(6-14-8-10-2-3-11-8)7-15-9-12-4-5-13-9/h1-7H2,(H,10,11)(H,12,13)
InChI Key:
WFHUPAOXCGQPQZ-UHFFFAOYSA-N
SMILES:
C(CSC1=NCCN1)CSC1=NCCN1.Br.Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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