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1864062-99-6 | 2-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)PIPERIDINE HYDROCHLORIDE
CAS No: 1864062-99-6 Catalog No: AG01AT5T MDL No:MFCD26793217
Product Description
Catalog Number:
AG01AT5T
Chemical Name:
2-([(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL)PIPERIDINE HYDROCHLORIDE
CAS Number:
1864062-99-6
Molecular Formula:
C10H18ClN3S
Molecular Weight:
247.7880
MDL Number:
MFCD26793217
IUPAC Name:
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
InChI:
InChI=1S/C10H17N3S.ClH/c1-13-7-6-12-10(13)14-8-9-4-2-3-5-11-9;/h6-7,9,11H,2-5,8H2,1H3;1H
InChI Key:
REUOJXHAWRTYJZ-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCC1CCCCN1.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.785g/mol
Monoisotopic Mass:
247.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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