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1864053-70-2 | 2-((AZETIDIN-3-YLMETHYL)THIO)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE
CAS No: 1864053-70-2 Catalog No: AG01ASI7 MDL No:MFCD28125867
Product Description
Catalog Number:
AG01ASI7
Chemical Name:
2-((AZETIDIN-3-YLMETHYL)THIO)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE
CAS Number:
1864053-70-2
Molecular Formula:
C8H14ClN3S
Molecular Weight:
219.7349
MDL Number:
MFCD28125867
IUPAC Name:
2-(azetidin-3-ylmethylsulfanyl)-1-methylimidazole;hydrochloride
InChI:
InChI=1S/C8H13N3S.ClH/c1-11-3-2-10-8(11)12-6-7-4-9-5-7;/h2-3,7,9H,4-6H2,1H3;1H
InChI Key:
ZJRBEOBZTXXECK-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCC1CNC1.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.731g/mol
Monoisotopic Mass:
219.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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