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128365-16-2 | 1H-Indole, 2-[bis(methylthio)methyl]-1-methyl-
CAS No: 128365-16-2 Catalog No: AG000Y0R MDL No:
Product Description
Catalog Number:
AG000Y0R
Chemical Name:
1H-Indole, 2-[bis(methylthio)methyl]-1-methyl-
CAS Number:
128365-16-2
Molecular Formula:
C12H15NS2
Molecular Weight:
237.3842
IUPAC Name:
2-[bis(methylsulfanyl)methyl]-1-methylindole
InChI:
InChI=1S/C12H15NS2/c1-13-10-7-5-4-6-9(10)8-11(13)12(14-2)15-3/h4-8,12H,1-3H3
InChI Key:
VHGGYOWSZDOUAD-UHFFFAOYSA-N
SMILES:
CSC(c1cc2c(n1C)cccc2)SC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.379g/mol
Monoisotopic Mass:
237.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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