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89025-65-0 | Pyridine, 2-[(2,2-dimethylpropyl)thio]-
CAS No: 89025-65-0 Catalog No: AG0042RM MDL No:
Product Description
Catalog Number:
AG0042RM
Chemical Name:
Pyridine, 2-[(2,2-dimethylpropyl)thio]-
CAS Number:
89025-65-0
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
IUPAC Name:
2-(2,2-dimethylpropylsulfanyl)pyridine
InChI:
InChI=1S/C10H15NS/c1-10(2,3)8-12-9-6-4-5-7-11-9/h4-7H,8H2,1-3H3
InChI Key:
NWDDYQRKTGBJFJ-UHFFFAOYSA-N
SMILES:
CC(CSc1ccccn1)(C)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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