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4373-59-5 | 2-[4-(methylsulfanyl)phenyl]pyridine
CAS No: 4373-59-5 Catalog No: AG00P2DF MDL No:MFCD06201383
Product Description
Catalog Number:
AG00P2DF
Chemical Name:
2-[4-(methylsulfanyl)phenyl]pyridine
CAS Number:
4373-59-5
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD06201383
IUPAC Name:
2-(4-methylsulfanylphenyl)pyridine
InChI:
InChI=1S/C12H11NS/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
InChI Key:
TXBSGVPDZSUPPZ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccccn1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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