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88373-85-7 | Urea, N-ethyl-N'-[2-(4-thiomorpholinyl)ethyl]-
CAS No: 88373-85-7 Catalog No: AG004MAC MDL No:
Product Description
Catalog Number:
AG004MAC
Chemical Name:
Urea, N-ethyl-N'-[2-(4-thiomorpholinyl)ethyl]-
CAS Number:
88373-85-7
Molecular Formula:
C9H19N3OS
Molecular Weight:
217.3317
IUPAC Name:
1-ethyl-3-(2-thiomorpholin-4-ylethyl)urea
InChI:
InChI=1S/C9H19N3OS/c1-2-10-9(13)11-3-4-12-5-7-14-8-6-12/h2-8H2,1H3,(H2,10,11,13)
InChI Key:
XPYWZLBLNAZARV-UHFFFAOYSA-N
SMILES:
CCNC(=O)NCCN1CCSCC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.125g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.331g/mol
Monoisotopic Mass:
217.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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