phenyl N,N-dibutylcarbamodithioate

C15H23NS2 — CID 19832465

IUPACphenyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)Sc1ccccc1
InChIInChI=1S/C15H23NS2/c1-3-5-12-16(13-6-4-2)15(17)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyGXSUIQYRSKGFSY-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.97
Rot. Bonds7

About phenyl N,N-dibutylcarbamodithioate

phenyl N,N-dibutylcarbamodithioate (PubChem CID 19832465) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is phenyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Namephenyl N,N-dibutylcarbamodithioate
PubChem CID19832465
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC Namephenyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)Sc1ccccc1
InChIInChI=1S/C15H23NS2/c1-3-5-12-16(13-6-4-2)15(17)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyGXSUIQYRSKGFSY-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl N,N-dibutylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N,N-dibutylcarbamodithioate?
The IUPAC name of phenyl N,N-dibutylcarbamodithioate (CID 19832465) is phenyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for phenyl N,N-dibutylcarbamodithioate?
The canonical SMILES for phenyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)Sc1ccccc1.
What is the InChIKey of phenyl N,N-dibutylcarbamodithioate?
The InChIKey is GXSUIQYRSKGFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-3-5-12-16(13-6-4-2)15(17)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of phenyl N,N-dibutylcarbamodithioate?
phenyl N,N-dibutylcarbamodithioate has a molecular weight of 281.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 19832465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).