N,N'-di(butan-2-yl)ethanedithioamide

C10H20N2S2 — CID 3032825

IUPACN,N'-di(butan-2-yl)ethanedithioamide
SMILESCCC(C)NC(=S)C(=S)NC(C)CC
InChIInChI=1S/C10H20N2S2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeySWSRADGPGOTAJT-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.42
Rot. Bonds4

About N,N'-di(butan-2-yl)ethanedithioamide

N,N'-di(butan-2-yl)ethanedithioamide (PubChem CID 3032825) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is N,N'-di(butan-2-yl)ethanedithioamide.

Molecular Properties

Compound NameN,N'-di(butan-2-yl)ethanedithioamide
PubChem CID3032825
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC NameN,N'-di(butan-2-yl)ethanedithioamide
SMILESCCC(C)NC(=S)C(=S)NC(C)CC
InChIInChI=1S/C10H20N2S2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeySWSRADGPGOTAJT-UHFFFAOYSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(butan-2-yl)ethanedithioamide?
The IUPAC name of N,N'-di(butan-2-yl)ethanedithioamide (CID 3032825) is N,N'-di(butan-2-yl)ethanedithioamide.
What is the SMILES notation for N,N'-di(butan-2-yl)ethanedithioamide?
The canonical SMILES for N,N'-di(butan-2-yl)ethanedithioamide is CCC(C)NC(=S)C(=S)NC(C)CC.
What is the InChIKey of N,N'-di(butan-2-yl)ethanedithioamide?
The InChIKey is SWSRADGPGOTAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-di(butan-2-yl)ethanedithioamide?
N,N'-di(butan-2-yl)ethanedithioamide has a molecular weight of 232.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(butan-2-yl)ethanedithioamide is sourced from PubChem (CID 3032825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).