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1864058-15-0 | 3-((1-METHYL-1H-IMIDAZOL-2-YL)THIO)PIPERIDINE HYDROCHLORIDE
CAS No: 1864058-15-0 Catalog No: AG01ASH9 MDL No:MFCD28126210
Product Description
Catalog Number:
AG01ASH9
Chemical Name:
3-((1-METHYL-1H-IMIDAZOL-2-YL)THIO)PIPERIDINE HYDROCHLORIDE
CAS Number:
1864058-15-0
Molecular Formula:
C9H16ClN3S
Molecular Weight:
233.7614
MDL Number:
MFCD28126210
IUPAC Name:
3-(1-methylimidazol-2-yl)sulfanylpiperidine;hydrochloride
InChI:
InChI=1S/C9H15N3S.ClH/c1-12-6-5-11-9(12)13-8-3-2-4-10-7-8;/h5-6,8,10H,2-4,7H2,1H3;1H
InChI Key:
VDNYJOCMIHXBGW-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SC1CCCNC1.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.758g/mol
Monoisotopic Mass:
233.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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