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Home > Imidazoles > 1087788-44-0
1087788-44-0 | N-(1,1-dioxo-1lambda6-thiolan-3-yl)-1H-imidazole-1-carboxamide
CAS No: 1087788-44-0 Catalog No: AG019QQY MDL No:MFCD11099731
Product Description
Catalog Number:
AG019QQY
Chemical Name:
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-1H-imidazole-1-carboxamide
CAS Number:
1087788-44-0
Molecular Formula:
C8H11N3O3S
Molecular Weight:
229.2562
MDL Number:
MFCD11099731
IUPAC Name:
N-(1,1-dioxothiolan-3-yl)imidazole-1-carboxamide
InChI:
InChI=1S/C8H11N3O3S/c12-8(11-3-2-9-6-11)10-7-1-4-15(13,14)5-7/h2-3,6-7H,1,4-5H2,(H,10,12)
InChI Key:
MMTQQESMGMMALG-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NC1CCS(=O)(=O)C1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.254g/mol
Monoisotopic Mass:
229.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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