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Home > Indoles and Oxindole > 79582-53-9
79582-53-9 | 1H-Indole-3-ethanethioicacid
CAS No: 79582-53-9 Catalog No: AG0051AA MDL No:
Product Description
Catalog Number:
AG0051AA
Chemical Name:
1H-Indole-3-ethanethioicacid
CAS Number:
79582-53-9
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
2-(1H-indol-3-yl)ethanethioic S-acid
InChI:
InChI=1S/C10H9NOS/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChI Key:
RSRQOOVRNRWMTG-UHFFFAOYSA-N
SMILES:
OC(=S)Cc1c[nH]c2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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