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Home > Imidazoles > 568577-86-6
568577-86-6 | 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE
CAS No: 568577-86-6 Catalog No: AG00EB01 MDL No:MFCD04974045
Product Description
Catalog Number:
AG00EB01
Chemical Name:
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE
CAS Number:
568577-86-6
Molecular Formula:
C12H12Cl2N2OS
Molecular Weight:
303.2075
MDL Number:
MFCD04974045
IUPAC Name:
3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride
InChI:
InChI=1S/C12H11ClN2OS.ClH/c1-17-12-14-7-10(11(13)16)15(12)8-9-5-3-2-4-6-9;/h2-7H,8H2,1H3;1H
InChI Key:
AUZZRVMDIAHPNZ-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1Cc1ccccc1)C(=O)Cl.Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.201g/mol
Monoisotopic Mass:
302.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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