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1417789-10-6 | Pyridine, 2-[(3R)-3-pyrrolidinylthio]-, hydrochloride (1:1)
CAS No: 1417789-10-6 Catalog No: AG001H23 MDL No:
Product Description
Catalog Number:
AG001H23
Chemical Name:
Pyridine, 2-[(3R)-3-pyrrolidinylthio]-, hydrochloride (1:1)
CAS Number:
1417789-10-6
Molecular Formula:
C9H13ClN2S
Molecular Weight:
216.7309
IUPAC Name:
2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
InChI:
InChI=1S/C9H12N2S.ClH/c1-2-5-11-9(3-1)12-8-4-6-10-7-8;/h1-3,5,8,10H,4,6-7H2;1H/t8-;/m1./s1
InChI Key:
DVAQMVXBSHLKAL-DDWIOCJRSA-N
SMILES:
C1NC[C@@H](C1)Sc1ccccn1.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.727g/mol
Monoisotopic Mass:
216.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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