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1864073-17-5 | 1-METHYL-2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1H-IMIDAZOLE HYDROCHLORIDE
CAS No: 1864073-17-5 Catalog No: AG01AT2G MDL No:MFCD26793155
Product Description
Catalog Number:
AG01AT2G
Chemical Name:
1-METHYL-2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1H-IMIDAZOLE HYDROCHLORIDE
CAS Number:
1864073-17-5
Molecular Formula:
C9H16ClN3S
Molecular Weight:
233.7614
MDL Number:
MFCD26793155
IUPAC Name:
1-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)imidazole;hydrochloride
InChI:
InChI=1S/C9H15N3S.ClH/c1-12-6-5-11-9(12)13-7-8-3-2-4-10-8;/h5-6,8,10H,2-4,7H2,1H3;1H
InChI Key:
BHIDRHMKGCWXBC-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCC1CCCN1.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:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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