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Home > Imidazoles > 871809-53-9
871809-53-9 | 2-{[(1-methyl-1H-imidazol-2-yl)methyl]sulfanyl}ethan-1-ol
CAS No: 871809-53-9 Catalog No: AG01B6JY MDL No:MFCD12185692
Product Description
Catalog Number:
AG01B6JY
Chemical Name:
2-{[(1-methyl-1H-imidazol-2-yl)methyl]sulfanyl}ethan-1-ol
CAS Number:
871809-53-9
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD12185692
IUPAC Name:
2-[(1-methylimidazol-2-yl)methylsulfanyl]ethanol
InChI:
InChI=1S/C7H12N2OS/c1-9-3-2-8-7(9)6-11-5-4-10/h2-3,10H,4-6H2,1H3
InChI Key:
HAXVMBFSZXTNAE-UHFFFAOYSA-N
SMILES:
OCCSCc1nccn1C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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