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Home > Imidazoles > 5455-64-1
5455-64-1 | 2-(benzylthio)-4,5-dihydro-1H-imidazole hydrochloride
CAS No: 5455-64-1 Catalog No: AG01CAOC MDL No:MFCD00278183
Product Description
Catalog Number:
AG01CAOC
Chemical Name:
2-(benzylthio)-4,5-dihydro-1H-imidazole hydrochloride
CAS Number:
5455-64-1
Molecular Formula:
C10H13ClN2S
Molecular Weight:
228.7416
MDL Number:
MFCD00278183
IUPAC Name:
2-benzylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C10H12N2S.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChI Key:
NBMZJZXZDLSANU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSC1=NCCN1.Cl
NSC Number:
23479
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.738g/mol
Monoisotopic Mass:
228.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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