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Home > Pyridines > 1420872-64-5
1420872-64-5 | 2-(PYRROLIDIN-3-YLTHIO)PYRIDINE HYDROCHLORIDE
CAS No: 1420872-64-5 Catalog No: AG01ASCM MDL No:MFCD24380339
Product Description
Catalog Number:
AG01ASCM
Chemical Name:
2-(PYRROLIDIN-3-YLTHIO)PYRIDINE HYDROCHLORIDE
CAS Number:
1420872-64-5
Molecular Formula:
C9H13ClN2S
Molecular Weight:
216.7309
MDL Number:
MFCD24380339
IUPAC Name:
2-pyrrolidin-3-ylsulfanylpyridine;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
InChI Key:
DVAQMVXBSHLKAL-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Sc1ccccn1.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
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