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Home > Indoles and Oxindole > 120517-33-1
120517-33-1 | 1H-Indole, 2,3-bis(methylthio)-
CAS No: 120517-33-1 Catalog No: AG0075YC MDL No:
Product Description
Catalog Number:
AG0075YC
Chemical Name:
1H-Indole, 2,3-bis(methylthio)-
CAS Number:
120517-33-1
Molecular Formula:
C10H11NS2
Molecular Weight:
209.3310
IUPAC Name:
2,3-bis(methylsulfanyl)-1H-indole
InChI:
InChI=1S/C10H11NS2/c1-12-9-7-5-3-4-6-8(7)11-10(9)13-2/h3-6,11H,1-2H3
InChI Key:
KZYOEXLJZOPERB-UHFFFAOYSA-N
SMILES:
CSc1[nH]c2c(c1SC)cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.325g/mol
Monoisotopic Mass:
209.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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