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43003-89-0 | [2-(phenylsulfanyl)pyridin-3-yl]methanol
CAS No: 43003-89-0 Catalog No: AG00ISRU MDL No:MFCD00794865
Product Description
Catalog Number:
AG00ISRU
Chemical Name:
[2-(phenylsulfanyl)pyridin-3-yl]methanol
CAS Number:
43003-89-0
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD00794865
IUPAC Name:
(2-phenylsulfanylpyridin-3-yl)methanol
InChI:
InChI=1S/C12H11NOS/c14-9-10-5-4-8-13-12(10)15-11-6-2-1-3-7-11/h1-8,14H,9H2
InChI Key:
AITNVOMCXOUNME-UHFFFAOYSA-N
SMILES:
OCc1cccnc1Sc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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