propyl N,N-dibutylcarbamodithioate

C12H25NS2 — CID 519630

IUPACpropyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCCC
InChIInChI=1S/C12H25NS2/c1-4-7-9-13(10-8-5-2)12(14)15-11-6-3/h4-11H2,1-3H3
InChIKeyUFDGCMYVJSFYQM-UHFFFAOYSA-N
MW247.47 g/mol
LogP4.32
Rot. Bonds8

About propyl N,N-dibutylcarbamodithioate

propyl N,N-dibutylcarbamodithioate (PubChem CID 519630) has the molecular formula C12H25NS2 and a molecular weight of 247.47 g/mol. Its IUPAC name is propyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Namepropyl N,N-dibutylcarbamodithioate
PubChem CID519630
Molecular FormulaC12H25NS2
Molecular Weight247.47 g/mol
Exact Mass247.14
IUPAC Namepropyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCCC
InChIInChI=1S/C12H25NS2/c1-4-7-9-13(10-8-5-2)12(14)15-11-6-3/h4-11H2,1-3H3
InChIKeyUFDGCMYVJSFYQM-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
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 propyl N,N-dibutylcarbamodithioate?
The IUPAC name of propyl N,N-dibutylcarbamodithioate (CID 519630) is propyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for propyl N,N-dibutylcarbamodithioate?
The canonical SMILES for propyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SCCC.
What is the InChIKey of propyl N,N-dibutylcarbamodithioate?
The InChIKey is UFDGCMYVJSFYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2/c1-4-7-9-13(10-8-5-2)12(14)15-11-6-3/h4-11H2,1-3H3.
What are the key properties of propyl N,N-dibutylcarbamodithioate?
propyl N,N-dibutylcarbamodithioate has a molecular weight of 247.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 519630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).