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Home > Indoles and Oxindole > 202584-22-3
202584-22-3 | 1H-Indole, 6-(methylthio)-
CAS No: 202584-22-3 Catalog No: AG0028BJ MDL No:MFCD20258845
Product Description
Catalog Number:
AG0028BJ
Chemical Name:
1H-Indole, 6-(methylthio)-
CAS Number:
202584-22-3
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD20258845
IUPAC Name:
6-methylsulfanyl-1H-indole
InChI:
InChI=1S/C9H9NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChI Key:
XBTHQAKYJGTLRT-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)[nH]cc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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