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477889-52-4 | 3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
CAS No: 477889-52-4 Catalog No: AG00IP37 MDL No:MFCD02186093
Product Description
Catalog Number:
AG00IP37
Chemical Name:
3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
CAS Number:
477889-52-4
Molecular Formula:
C7H12N2O3S
Molecular Weight:
204.2468
MDL Number:
MFCD02186093
IUPAC Name:
3-(2,2-dimethoxyethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H12N2O3S/c1-11-6(12-2)4-9-5(10)3-8-7(9)13/h6H,3-4H2,1-2H3,(H,8,13)
InChI Key:
BERDJKLRKDJJKH-UHFFFAOYSA-N
SMILES:
COC(CN1C(=S)NCC1=O)OC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.244g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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