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7648-01-3 | 3-Ethylrhodanine
CAS No: 7648-01-3 Catalog No: AG003JEQ MDL No:MFCD00051339
Product Description
Catalog Number:
AG003JEQ
Chemical Name:
3-Ethylrhodanine
CAS Number:
7648-01-3
Molecular Formula:
C5H7NOS2
Molecular Weight:
161.2452
MDL Number:
MFCD00051339
IUPAC Name:
3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChI Key:
UPCYEFFISUGBRW-UHFFFAOYSA-N
SMILES:
CCN1C(=S)SCC1=O
EC Number:
231-603-9
UNII:
42KLQ911HT
NSC Number:
81656
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.997g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.237g/mol
Monoisotopic Mass:
160.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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