N,N'-bis(2-methylpropyl)ethanedithioamide

C10H20N2S2 — CID 12684681

IUPACN,N'-bis(2-methylpropyl)ethanedithioamide
SMILESCC(C)CNC(=S)C(=S)NCC(C)C
InChIInChI=1S/C10H20N2S2/c1-7(2)5-11-9(13)10(14)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyHTPZAOMQFPAWPJ-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.13
Rot. Bonds4

About N,N'-bis(2-methylpropyl)ethanedithioamide

N,N'-bis(2-methylpropyl)ethanedithioamide (PubChem CID 12684681) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is N,N'-bis(2-methylpropyl)ethanedithioamide.

Molecular Properties

Compound NameN,N'-bis(2-methylpropyl)ethanedithioamide
PubChem CID12684681
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC NameN,N'-bis(2-methylpropyl)ethanedithioamide
SMILESCC(C)CNC(=S)C(=S)NCC(C)C
InChIInChI=1S/C10H20N2S2/c1-7(2)5-11-9(13)10(14)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyHTPZAOMQFPAWPJ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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'-bis(2-methylpropyl)ethanedithioamide?
The IUPAC name of N,N'-bis(2-methylpropyl)ethanedithioamide (CID 12684681) is N,N'-bis(2-methylpropyl)ethanedithioamide.
What is the SMILES notation for N,N'-bis(2-methylpropyl)ethanedithioamide?
The canonical SMILES for N,N'-bis(2-methylpropyl)ethanedithioamide is CC(C)CNC(=S)C(=S)NCC(C)C.
What is the InChIKey of N,N'-bis(2-methylpropyl)ethanedithioamide?
The InChIKey is HTPZAOMQFPAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-7(2)5-11-9(13)10(14)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(2-methylpropyl)ethanedithioamide?
N,N'-bis(2-methylpropyl)ethanedithioamide has a molecular weight of 232.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylpropyl)ethanedithioamide is sourced from PubChem (CID 12684681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).