[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate

C11H22N2S3 — CID 44550866

IUPAC[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)CSC(=S)N(CC)CC
InChIInChI=1S/C11H22N2S3/c1-5-12(6-2)10(14)9-16-11(15)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyCNCIYWYBJUTHQW-UHFFFAOYSA-N
MW278.51 g/mol
LogP3.02
Rot. Bonds6

About [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate

[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate (PubChem CID 44550866) has the molecular formula C11H22N2S3 and a molecular weight of 278.51 g/mol. Its IUPAC name is [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate
PubChem CID44550866
Molecular FormulaC11H22N2S3
Molecular Weight278.51 g/mol
Exact Mass278.09
IUPAC Name[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)CSC(=S)N(CC)CC
InChIInChI=1S/C11H22N2S3/c1-5-12(6-2)10(14)9-16-11(15)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyCNCIYWYBJUTHQW-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sulfiram
CID 7215
Ethyl N,N-diethylcarbamodithioate
CID 20855
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
2-(2-diethylaminoethylsulfanylmethylsulfanyl)-N,N-diethyl-ethanamine
CID 469937
N,N-Diethyl-N',N'-dimethyltrithiodicarbonic diamide
CID 101844300
Carbamodithioic acid, bis(1-methylethyl)-, propyl ester
CID 146526
Propyl dipropyldithiocarbamate
CID 519629
Carbamic acid, dibutyldithio-, propyl ester
CID 519630
Carbamodithioic acid, dibutyl-, ethyl ester
CID 521061
2-Diethylaminoethyl 4-methylpiperazine-1-carbodithioate
CID 515603

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate (CID 44550866) is [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)CSC(=S)N(CC)CC.
What is the InChIKey of [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate?
The InChIKey is CNCIYWYBJUTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S3/c1-5-12(6-2)10(14)9-16-11(15)13(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate?
[2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate has a molecular weight of 278.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-sulfanylideneethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 44550866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).