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EWP 815

CAT: 0127-BUP10431-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10431-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20231-01-0
Smiles
C(SSC(=S)N1CCN(C)CC1)(=S)N2CCN(C)CC2

Chemical Information

1,1'-(Dithiodicarbonothioyl)bis(4-methylpiperazine)
CAS Number20231-01-0
PubChem CID30054
IUPAC Name(4-methylpiperazine-1-carbothioyl)sulfanyl 4-methylpiperazine-1-carbodithioate
Molecular FormulaC12H22N4S4
Molecular Weight350.6
XLogP1.3
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
CN1CCN(CC1)C(=S)SSC(=S)N2CCN(CC2)C
InChI
InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
InChIKey
OOBDBFPYJXJEHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(Dithiodicarbonothioyl)bis(4-methylpiperazine)
CAS: 20231-01-0
CID: 30054
Formula: C12H22N4S4
MW: 350.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.6
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass350.07273141
Monoisotopic Mass350.07273141
Topological Polar Surface Area128 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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