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90811-43-1 | Ethanol, 2-[(1H-indol-3-ylmethyl)thio]-
CAS No: 90811-43-1 Catalog No: AG006M2K MDL No:
Product Description
Catalog Number:
AG006M2K
Chemical Name:
Ethanol, 2-[(1H-indol-3-ylmethyl)thio]-
CAS Number:
90811-43-1
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
2-(1H-indol-3-ylmethylsulfanyl)ethanol
InChI:
InChI=1S/C11H13NOS/c13-5-6-14-8-9-7-12-11-4-2-1-3-10(9)11/h1-4,7,12-13H,5-6,8H2
InChI Key:
LRKWAOMRJQBLFD-UHFFFAOYSA-N
SMILES:
OCCSCc1c[nH]c2c1cccc2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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