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Home > Imidazoles > 5391-52-6
5391-52-6 | 1-Acetylimidazolidinethione
CAS No: 5391-52-6 Catalog No: AG0037BT MDL No:
Product Description
Catalog Number:
AG0037BT
Chemical Name:
1-Acetylimidazolidinethione
CAS Number:
5391-52-6
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
IUPAC Name:
1-(2-sulfanylideneimidazolidin-1-yl)ethanone
InChI:
InChI=1S/C5H8N2OS/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChI Key:
XGAVQYNYNMJURR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCNC1=S
EC Number:
611-065-5
UNII:
915LI10XR7
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.192g/mol
Monoisotopic Mass:
144.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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