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1416440-37-3 | 1H-Indol-5-amine, 3-(methylthio)-
CAS No: 1416440-37-3 Catalog No: AG001GT5 MDL No:
Product Description
Catalog Number:
AG001GT5
Chemical Name:
1H-Indol-5-amine, 3-(methylthio)-
CAS Number:
1416440-37-3
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
3-methylsulfanyl-1H-indol-5-amine
InChI:
InChI=1S/C9H10N2S/c1-12-9-5-11-8-3-2-6(10)4-7(8)9/h2-5,11H,10H2,1H3
InChI Key:
RFIANYLUXCNIIZ-UHFFFAOYSA-N
SMILES:
CSc1c[nH]c2c1cc(N)cc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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