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347194-01-8 | 3-(pyridin-2-ylsulfanyl)propan-1-ol
CAS No: 347194-01-8 Catalog No: AG01BRXP MDL No:MFCD12187012
Product Description
Catalog Number:
AG01BRXP
Chemical Name:
3-(pyridin-2-ylsulfanyl)propan-1-ol
CAS Number:
347194-01-8
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD12187012
IUPAC Name:
3-pyridin-2-ylsulfanylpropan-1-ol
InChI:
InChI=1S/C8H11NOS/c10-6-3-7-11-8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2
InChI Key:
PEGJUTOPVJLXFZ-UHFFFAOYSA-N
SMILES:
OCCCSc1ccccn1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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