potassium N,N-di(propan-2-yl)carbamodithioate

C7H14KNS2 — CID 23667683

IUPACpotassium N,N-di(propan-2-yl)carbamodithioate
SMILESCC(C)N(C(=S)[S-])C(C)C.[K+]
InChIInChI=1S/C7H15NS2.K/c1-5(2)8(6(3)4)7(9)10;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1
InChIKeyNKWMZAPLLZDBBP-UHFFFAOYSA-M
MW215.43 g/mol
LogP-1.06
Rot. Bonds2

About potassium N,N-di(propan-2-yl)carbamodithioate

potassium N,N-di(propan-2-yl)carbamodithioate (PubChem CID 23667683) has the molecular formula C7H14KNS2 and a molecular weight of 215.43 g/mol. Its IUPAC name is potassium N,N-di(propan-2-yl)carbamodithioate.

Molecular Properties

Compound Namepotassium N,N-di(propan-2-yl)carbamodithioate
PubChem CID23667683
Molecular FormulaC7H14KNS2
Molecular Weight215.43 g/mol
Exact Mass215.02
IUPAC Namepotassium N,N-di(propan-2-yl)carbamodithioate
SMILESCC(C)N(C(=S)[S-])C(C)C.[K+]
InChIInChI=1S/C7H15NS2.K/c1-5(2)8(6(3)4)7(9)10;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1
InChIKeyNKWMZAPLLZDBBP-UHFFFAOYSA-M
XLogP-1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.43
LogP ≤ 5-1.06
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-di(propan-2-yl)carbamodithioate?
The IUPAC name of potassium N,N-di(propan-2-yl)carbamodithioate (CID 23667683) is potassium N,N-di(propan-2-yl)carbamodithioate.
What is the SMILES notation for potassium N,N-di(propan-2-yl)carbamodithioate?
The canonical SMILES for potassium N,N-di(propan-2-yl)carbamodithioate is CC(C)N(C(=S)[S-])C(C)C.[K+].
What is the InChIKey of potassium N,N-di(propan-2-yl)carbamodithioate?
The InChIKey is NKWMZAPLLZDBBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NS2.K/c1-5(2)8(6(3)4)7(9)10;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium N,N-di(propan-2-yl)carbamodithioate?
potassium N,N-di(propan-2-yl)carbamodithioate has a molecular weight of 215.43 g/mol, XLogP of -1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N,N-di(propan-2-yl)carbamodithioate is sourced from PubChem (CID 23667683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).