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Home > Aldehydes > 222857-05-8
222857-05-8 | 1-Piperazinecarboxaldehyde,4-(2-mercaptoethyl)-
CAS No: 222857-05-8 Catalog No: AG007OY9 MDL No:
Product Description
Catalog Number:
AG007OY9
Chemical Name:
1-Piperazinecarboxaldehyde,4-(2-mercaptoethyl)-
CAS Number:
222857-05-8
Molecular Formula:
C7H14N2OS
Molecular Weight:
174.2639
IUPAC Name:
4-(2-sulfanylethyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C7H14N2OS/c10-7-9-3-1-8(2-4-9)5-6-11/h7,11H,1-6H2
InChI Key:
VYHIASUJYCUHOC-UHFFFAOYSA-N
SMILES:
SCCN1CCN(CC1)C=O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.262g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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