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214330-72-0

214330-72-0 | 4-Methylthiophenyl-(2-pyridyl)methanol

CAS No: 214330-72-0 Catalog No: AG01FCTL MDL No:

Product Description

Catalog Number:
AG01FCTL
Chemical Name:
4-Methylthiophenyl-(2-pyridyl)methanol
CAS Number:
214330-72-0
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
(4-methylsulfanylphenyl)-pyridin-2-ylmethanol
InChI:
InChI=1S/C13H13NOS/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3
InChI Key:
GMDXSIWCCDDIQL-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(c1ccccn1)O

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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