potassium N,N-dibutylcarbamodithioate

C9H18KNS2 — CID 23667650

IUPACpotassium N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)[S-].[K+]
InChIInChI=1S/C9H19NS2.K/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCTAGWAHHVKDYTF-UHFFFAOYSA-M
MW243.48 g/mol
LogP-0.28
Rot. Bonds6

About potassium N,N-dibutylcarbamodithioate

potassium N,N-dibutylcarbamodithioate (PubChem CID 23667650) has the molecular formula C9H18KNS2 and a molecular weight of 243.48 g/mol. Its IUPAC name is potassium N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Namepotassium N,N-dibutylcarbamodithioate
PubChem CID23667650
Molecular FormulaC9H18KNS2
Molecular Weight243.48 g/mol
Exact Mass243.05
IUPAC Namepotassium N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)[S-].[K+]
InChIInChI=1S/C9H19NS2.K/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCTAGWAHHVKDYTF-UHFFFAOYSA-M
XLogP-0.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.48
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N,N-dibutylcarbamodithioate?
The IUPAC name of potassium N,N-dibutylcarbamodithioate (CID 23667650) is potassium N,N-dibutylcarbamodithioate.
What is the SMILES notation for potassium N,N-dibutylcarbamodithioate?
The canonical SMILES for potassium N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)[S-].[K+].
What is the InChIKey of potassium N,N-dibutylcarbamodithioate?
The InChIKey is CTAGWAHHVKDYTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NS2.K/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium N,N-dibutylcarbamodithioate?
potassium N,N-dibutylcarbamodithioate has a molecular weight of 243.48 g/mol, XLogP of -0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N,N-dibutylcarbamodithioate is sourced from PubChem (CID 23667650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).