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1864052-15-2 | 1-METHYL-2-(PYRROLIDIN-3-YLSULFANYL)-1H-IMIDAZOLE HYDROCHLORIDE
CAS No: 1864052-15-2 Catalog No: AG01AT8M MDL No:MFCD26793092
Product Description
Catalog Number:
AG01AT8M
Chemical Name:
1-METHYL-2-(PYRROLIDIN-3-YLSULFANYL)-1H-IMIDAZOLE HYDROCHLORIDE
CAS Number:
1864052-15-2
Molecular Formula:
C8H14ClN3S
Molecular Weight:
219.7349
MDL Number:
MFCD26793092
IUPAC Name:
1-methyl-2-pyrrolidin-3-ylsulfanylimidazole;hydrochloride
InChI:
InChI=1S/C8H13N3S.ClH/c1-11-5-4-10-8(11)12-7-2-3-9-6-7;/h4-5,7,9H,2-3,6H2,1H3;1H
InChI Key:
KJIIFOPOABCUCA-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SC1CNCC1.Cl
Properties
Complexity:
153
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:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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