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119260-30-9 | 2,5-Piperazinedithione, 3,6-dimethyl-, (3S-cis)- (9CI)
CAS No: 119260-30-9 Catalog No: AG000IGG MDL No:
Product Description
Catalog Number:
AG000IGG
Chemical Name:
2,5-Piperazinedithione, 3,6-dimethyl-, (3S-cis)- (9CI)
CAS Number:
119260-30-9
Molecular Formula:
C6H10N2S2
Molecular Weight:
174.2870
IUPAC Name:
(3S,6S)-3,6-dimethylpiperazine-2,5-dithione
InChI:
InChI=1S/C6H10N2S2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m0/s1
InChI Key:
LGYQNKLBFQZNNC-IMJSIDKUSA-N
SMILES:
C[C@@H]1NC(=S)[C@@H](NC1=S)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.28g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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