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Home > Imidazoles > 1177344-02-3
1177344-02-3 | 4-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]PIPERIDINE HYDROCHLORIDE
CAS No: 1177344-02-3 Catalog No: AG01ASCD MDL No:MFCD11560186
Product Description
Catalog Number:
AG01ASCD
Chemical Name:
4-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]PIPERIDINE HYDROCHLORIDE
CAS Number:
1177344-02-3
Molecular Formula:
C9H16ClN3S
Molecular Weight:
233.7614
MDL Number:
MFCD11560186
IUPAC Name:
4-(1-methylimidazol-2-yl)sulfanylpiperidine;hydrochloride
InChI:
InChI=1S/C9H15N3S.ClH/c1-12-7-6-11-9(12)13-8-2-4-10-5-3-8;/h6-8,10H,2-5H2,1H3;1H
InChI Key:
HFSGFOQRJJVEPV-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SC1CCNCC1.Cl
Properties
Complexity:
159
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:
0
Undefined Bond Stereocenter Count:
0
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