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106139-97-3 | Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]-
CAS No: 106139-97-3 Catalog No: AG007VHT MDL No:
Product Description
Catalog Number:
AG007VHT
Chemical Name:
Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]-
CAS Number:
106139-97-3
Molecular Formula:
C9H11IS2
Molecular Weight:
310.2181
IUPAC Name:
1-iodo-2-(2-methylsulfanylethylsulfanyl)benzene
InChI:
InChI=1S/C9H11IS2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChI Key:
LLNDPKLBBBLDPL-UHFFFAOYSA-N
SMILES:
CSCCSc1ccccc1I
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.211g/mol
Monoisotopic Mass:
309.935g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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