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118879-86-0 | Piperazine,1-(4,5-dihydro-3-isothiazolyl)-
CAS No: 118879-86-0 Catalog No: AG0080SZ MDL No:
Product Description
Catalog Number:
AG0080SZ
Chemical Name:
Piperazine,1-(4,5-dihydro-3-isothiazolyl)-
CAS Number:
118879-86-0
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
IUPAC Name:
3-piperazin-1-yl-4,5-dihydro-1,2-thiazole
InChI:
InChI=1S/C7H13N3S/c1-6-11-9-7(1)10-4-2-8-3-5-10/h8H,1-6H2
InChI Key:
PUVRTYRWQGTXSH-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)C1=NSCC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.262g/mol
Monoisotopic Mass:
171.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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