ethyl N,N-dibutylcarbamodithioate

C11H23NS2 — CID 521061

IUPACethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCC
InChIInChI=1S/C11H23NS2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeySCVJPCNSLINRAL-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.93
Rot. Bonds7

About ethyl N,N-dibutylcarbamodithioate

ethyl N,N-dibutylcarbamodithioate (PubChem CID 521061) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is ethyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Nameethyl N,N-dibutylcarbamodithioate
PubChem CID521061
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Nameethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCC
InChIInChI=1S/C11H23NS2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeySCVJPCNSLINRAL-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 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

Related Compounds

S-Propyl N,N-diethyldithiocarbamate
CID 519628
Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
CID 3086833
Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester
CID 3086834
(Diethylthiocarbamoyl)methylene diethylcarbamodithioate
CID 44550866
Carbamodithioic acid, bis(1-methylethyl)-, propyl ester
CID 146526
Propyl dipropyldithiocarbamate
CID 519629
Carbamic acid, dibutyldithio-, propyl ester
CID 519630
Carbamodithioic acid, dibutyl-, methyl ester
CID 520897
3-methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
CID 373739
N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine
CID 14948466
Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
CID 113307
(Diethylamino){2-[(diethylamino)thioxomethylthio]ethylthio}methane-1-thione
CID 303440

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dibutylcarbamodithioate?
The IUPAC name of ethyl N,N-dibutylcarbamodithioate (CID 521061) is ethyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for ethyl N,N-dibutylcarbamodithioate?
The canonical SMILES for ethyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SCC.
What is the InChIKey of ethyl N,N-dibutylcarbamodithioate?
The InChIKey is SCVJPCNSLINRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl N,N-dibutylcarbamodithioate?
ethyl N,N-dibutylcarbamodithioate has a molecular weight of 233.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 521061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).