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Home > Indoles and Oxindole > 1315689-89-4
1315689-89-4 | 1-methyl-1H-indole-7-thiol
CAS No: 1315689-89-4 Catalog No: AG01BIGQ MDL No:MFCD28659877
Product Description
Catalog Number:
AG01BIGQ
Chemical Name:
1-methyl-1H-indole-7-thiol
CAS Number:
1315689-89-4
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD28659877
IUPAC Name:
1-methylindole-7-thiol
InChI:
InChI=1S/C9H9NS/c1-10-6-5-7-3-2-4-8(11)9(7)10/h2-6,11H,1H3
InChI Key:
PUAXFZQURPCASQ-UHFFFAOYSA-N
SMILES:
Cn1ccc2c1c(S)ccc2
Properties
Complexity:
149
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:
0
Topological Polar Surface Area:
5.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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