N,N'-dipropylpropanedithioamide

C9H18N2S2 — CID 154718716

IUPACN,N'-dipropylpropanedithioamide
SMILESCCCNC(=S)CC(=S)NCCC
InChIInChI=1S/C9H18N2S2/c1-3-5-10-8(12)7-9(13)11-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCMNRRTIFAFUWGN-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.03
Rot. Bonds6

About N,N'-dipropylpropanedithioamide

N,N'-dipropylpropanedithioamide (PubChem CID 154718716) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is N,N'-dipropylpropanedithioamide.

Molecular Properties

Compound NameN,N'-dipropylpropanedithioamide
PubChem CID154718716
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC NameN,N'-dipropylpropanedithioamide
SMILESCCCNC(=S)CC(=S)NCCC
InChIInChI=1S/C9H18N2S2/c1-3-5-10-8(12)7-9(13)11-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCMNRRTIFAFUWGN-UHFFFAOYSA-N
XLogP2.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.03
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'-dipropylpropanedithioamide?
The IUPAC name of N,N'-dipropylpropanedithioamide (CID 154718716) is N,N'-dipropylpropanedithioamide.
What is the SMILES notation for N,N'-dipropylpropanedithioamide?
The canonical SMILES for N,N'-dipropylpropanedithioamide is CCCNC(=S)CC(=S)NCCC.
What is the InChIKey of N,N'-dipropylpropanedithioamide?
The InChIKey is CMNRRTIFAFUWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-3-5-10-8(12)7-9(13)11-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N,N'-dipropylpropanedithioamide?
N,N'-dipropylpropanedithioamide has a molecular weight of 218.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylpropanedithioamide is sourced from PubChem (CID 154718716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).