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1105190-15-5 | 2-[5-(HYDROXYMETHYL)-2-MERCAPTO-1H-IMIDAZOL-1-YL]-N-(4-METHYLBENZYL)ACETA+
CAS No: 1105190-15-5 Catalog No: AG01ARVO MDL No:MFCD11986406
Product Description
Catalog Number:
AG01ARVO
Chemical Name:
2-[5-(HYDROXYMETHYL)-2-MERCAPTO-1H-IMIDAZOL-1-YL]-N-(4-METHYLBENZYL)ACETA+
CAS Number:
1105190-15-5
MDL Number:
MFCD11986406
IUPAC Name:
2-[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
InChI:
InChI=1S/C14H17N3O2S/c1-10-2-4-11(5-3-10)6-15-13(19)8-17-12(9-18)7-16-14(17)20/h2-5,7,18H,6,8-9H2,1H3,(H,15,19)(H,16,20)
InChI Key:
UUIHQSVMYWCVQO-UHFFFAOYSA-N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.369g/mol
Monoisotopic Mass:
291.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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