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81484-99-3 | 4-Imidazolidinone,1,3-dimethyl-2-thioxo-5-[2-(1,5,5-trimethyl-2-pyrrolidinylidene)ethylidene]-
CAS No: 81484-99-3 Catalog No: AG008MBU MDL No:
Product Description
Catalog Number:
AG008MBU
Chemical Name:
4-Imidazolidinone,1,3-dimethyl-2-thioxo-5-[2-(1,5,5-trimethyl-2-pyrrolidinylidene)ethylidene]-
CAS Number:
81484-99-3
Molecular Formula:
C14H21N3OS
Molecular Weight:
279.4010
IUPAC Name:
1,3-dimethyl-2-sulfanylidene-5-[2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]imidazolidin-4-one
InChI:
InChI=1S/C14H21N3OS/c1-14(2)9-8-10(17(14)5)6-7-11-12(18)16(4)13(19)15(11)3/h6-7H,8-9H2,1-5H3
InChI Key:
WEEOXMWVJALXHN-UHFFFAOYSA-N
SMILES:
CN1C(=S)N(C(=CC=C2CCC(N2C)(C)C)C1=O)C
EC Number:
279-769-1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.402g/mol
Monoisotopic Mass:
279.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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