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138612-44-9 | Pentanoic acid, 4-[2-[(methylthio)thioxomethyl]hydrazinylidene]-, ethyl ester
CAS No: 138612-44-9 Catalog No: AG0018VW MDL No:
Product Description
Catalog Number:
AG0018VW
Chemical Name:
Pentanoic acid, 4-[2-[(methylthio)thioxomethyl]hydrazinylidene]-, ethyl ester
CAS Number:
138612-44-9
Molecular Formula:
C9H16N2O2S2
Molecular Weight:
248.3655
IUPAC Name:
ethyl 4-(methylsulfanylcarbothioylhydrazinylidene)pentanoate
InChI:
InChI=1S/C9H16N2O2S2/c1-4-13-8(12)6-5-7(2)10-11-9(14)15-3/h4-6H2,1-3H3,(H,11,14)
InChI Key:
UQXMZGHXDKCQRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=NNC(=S)SC)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.359g/mol
Monoisotopic Mass:
248.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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