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114622-70-7 | 4H-Imidazol-4-one, 2-amino-1,5-dihydro-5-(mercaptomethyl)-, (S)- (9CI)
CAS No: 114622-70-7 Catalog No: AG000EUL MDL No:
Product Description
Catalog Number:
AG000EUL
Chemical Name:
4H-Imidazol-4-one, 2-amino-1,5-dihydro-5-(mercaptomethyl)-, (S)- (9CI)
CAS Number:
114622-70-7
Molecular Formula:
C4H7N3OS
Molecular Weight:
145.1829
IUPAC Name:
(4S)-2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
InChI:
InChI=1S/C4H7N3OS/c5-4-6-2(1-9)3(8)7-4/h2,9H,1H2,(H3,5,6,7,8)/t2-/m1/s1
InChI Key:
JTHQOEQNCCWDTH-UWTATZPHSA-N
SMILES:
NC1=NC(=O)[C@H](N1)CS
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
145.18g/mol
Monoisotopic Mass:
145.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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