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29140-72-5 | 1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-
CAS No: 29140-72-5 Catalog No: AG002XGO MDL No:
Product Description
Catalog Number:
AG002XGO
Chemical Name:
1-Piperazinecarbodithioic acid, 3-methyl-4-pentyl-
CAS Number:
29140-72-5
Molecular Formula:
C11H22N2S2
Molecular Weight:
246.4358
IUPAC Name:
3-methyl-4-pentylpiperazine-1-carbodithioic acid
InChI:
InChI=1S/C11H22N2S2/c1-3-4-5-6-12-7-8-13(11(14)15)9-10(12)2/h10H,3-9H2,1-2H3,(H,14,15)
InChI Key:
WATRRRTWHCMELE-UHFFFAOYSA-N
SMILES:
CCCCCN1CCN(CC1C)C(=S)S
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.431g/mol
Monoisotopic Mass:
246.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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