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Home > Indoles and Oxindole > 77248-65-8
77248-65-8 | 5-(Methylthio)-1H-indole
CAS No: 77248-65-8 Catalog No: AG005D4X MDL No:MFCD06796637
Product Description
Catalog Number:
AG005D4X
Chemical Name:
5-(Methylthio)-1H-indole
CAS Number:
77248-65-8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD06796637
IUPAC Name:
5-methylsulfanyl-1H-indole
InChI:
InChI=1S/C9H9NS/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChI Key:
SDCBCVSFFGUNSH-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)cc[nH]2
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:
2.8
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