1-methoxyethyl N,N-dibutylcarbamodithioate

C12H25NOS2 — CID 22410967

IUPAC1-methoxyethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SC(C)OC
InChIInChI=1S/C12H25NOS2/c1-5-7-9-13(10-8-6-2)12(15)16-11(3)14-4/h11H,5-10H2,1-4H3
InChIKeyYQUCXDSLLUKHTP-UHFFFAOYSA-N
MW263.47 g/mol
LogP3.90
Rot. Bonds8

About 1-methoxyethyl N,N-dibutylcarbamodithioate

1-methoxyethyl N,N-dibutylcarbamodithioate (PubChem CID 22410967) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-methoxyethyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Name1-methoxyethyl N,N-dibutylcarbamodithioate
PubChem CID22410967
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC Name1-methoxyethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SC(C)OC
InChIInChI=1S/C12H25NOS2/c1-5-7-9-13(10-8-6-2)12(15)16-11(3)14-4/h11H,5-10H2,1-4H3
InChIKeyYQUCXDSLLUKHTP-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-methoxyethyl 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

Oxydiethane-2,1-diyl bis(diethylcarbamodithioate)
CID 220695
Hydroxyethyldibutyldithiocarbamate
CID 162787581
O-[3-(dimethylamino)propyl] ethylsulfanylmethanethioate
CID 58599033
O-ethyl 3-(dimethylamino)propylsulfanylmethanethioate
CID 58599037
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695
3-methoxy-N-methyl-N-(1-methylsulfanylethyl)propan-1-amine
CID 87781597
3-methoxy-N-methyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 87968660
3-(1-Propoxypropyl)-1,3-thiazolidine-2-thione
CID 88736842
3-(1-Methoxypropyl)-1,3-thiazolidine-2-thione
CID 88738462
3-(3-Propoxypropyl)-1,3-thiazolidine-2-thione
CID 88797447
1-Isobutoxyethyl diethylcarbamodithioate
CID 102486169
3-methoxysulfanylpropyl N,N-dipropylcarbamodithioate
CID 138744410

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl N,N-dibutylcarbamodithioate?
The IUPAC name of 1-methoxyethyl N,N-dibutylcarbamodithioate (CID 22410967) is 1-methoxyethyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for 1-methoxyethyl N,N-dibutylcarbamodithioate?
The canonical SMILES for 1-methoxyethyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SC(C)OC.
What is the InChIKey of 1-methoxyethyl N,N-dibutylcarbamodithioate?
The InChIKey is YQUCXDSLLUKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-5-7-9-13(10-8-6-2)12(15)16-11(3)14-4/h11H,5-10H2,1-4H3.
What are the key properties of 1-methoxyethyl N,N-dibutylcarbamodithioate?
1-methoxyethyl N,N-dibutylcarbamodithioate has a molecular weight of 263.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 22410967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).