Home Other Building Blocks 1-(1,1-dioxidotetrahydro-3-thienyl)piperazine

1-(1,1-dioxidotetrahydro-3-thienyl)piperazine

CAS No.:
110469-63-1
Catalog Number:
AG008V36
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
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Product Description
Catalog Number:
AG008V36
Chemical Name:
1-(1,1-dioxidotetrahydro-3-thienyl)piperazine
CAS Number:
110469-63-1
Molecular Formula:
C8H16N2O2S
Molecular Weight:
204.2898
MDL Number:
MFCD06655783
IUPAC Name:
3-piperazin-1-ylthiolane 1,1-dioxide
InChI:
InChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2
InChI Key:
CNOXWQHELZMCQH-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(C1)N1CCNCC1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.288g/mol
Monoisotopic Mass:
204.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties