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Home > Indoles and Oxindole > 15774-06-8
15774-06-8 | 2-(1H-indol-3-yl)ethane-1-thiol
CAS No: 15774-06-8 Catalog No: AG01C48H MDL No:MFCD20661296
Product Description
Catalog Number:
AG01C48H
Chemical Name:
2-(1H-indol-3-yl)ethane-1-thiol
CAS Number:
15774-06-8
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD20661296
IUPAC Name:
2-(1H-indol-3-yl)ethanethiol
InChI:
InChI=1S/C10H11NS/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChI Key:
CLQAPWVEHNTJLC-UHFFFAOYSA-N
SMILES:
SCCc1c[nH]c2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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