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88708-36-5 | 1-Piperazinecarboxylic acid, 4-[2-(methylthio)ethyl]-, ethyl ester
CAS No: 88708-36-5 Catalog No: AG00475X MDL No:
Product Description
Catalog Number:
AG00475X
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-(methylthio)ethyl]-, ethyl ester
CAS Number:
88708-36-5
Molecular Formula:
C10H20N2O2S
Molecular Weight:
232.3430
IUPAC Name:
ethyl 4-(2-methylsulfanylethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C10H20N2O2S/c1-3-14-10(13)12-6-4-11(5-7-12)8-9-15-2/h3-9H2,1-2H3
InChI Key:
HWDJTNOCJDWULP-UHFFFAOYSA-N
SMILES:
CSCCN1CCN(CC1)C(=O)OCC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.125g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.342g/mol
Monoisotopic Mass:
232.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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