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40015-10-9 | 1H-Indole, 3-(methylthio)-
CAS No: 40015-10-9 Catalog No: AG00761H MDL No:MFCD00219094
Product Description
Catalog Number:
AG00761H
Chemical Name:
1H-Indole, 3-(methylthio)-
CAS Number:
40015-10-9
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00219094
IUPAC Name:
3-methylsulfanyl-1H-indole
InChI:
InChI=1S/C9H9NS/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChI Key:
TVHHOXFINVVIIT-UHFFFAOYSA-N
SMILES:
CSc1c[nH]c2c1cccc2
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:
2.2
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