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1417794-33-2 | Pyrrolidine, 2-[[(2-methoxyphenyl)thio]methyl]-, hydrochloride (1:1)
CAS No: 1417794-33-2 Catalog No: AG001H54 MDL No:MFCD22631714
Product Description
Catalog Number:
AG001H54
Chemical Name:
Pyrrolidine, 2-[[(2-methoxyphenyl)thio]methyl]-, hydrochloride (1:1)
CAS Number:
1417794-33-2
Molecular Formula:
C12H18ClNOS
Molecular Weight:
259.7954
MDL Number:
MFCD22631714
IUPAC Name:
2-[(2-methoxyphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C12H17NOS.ClH/c1-14-11-6-2-3-7-12(11)15-9-10-5-4-8-13-10;/h2-3,6-7,10,13H,4-5,8-9H2,1H3;1H
InChI Key:
OZMXHPTZHDDPEC-UHFFFAOYSA-N
SMILES:
COc1ccccc1SCC1CCCN1.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.792g/mol
Monoisotopic Mass:
259.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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