ethyl N-ethylcarbamodithioate

C5H11NS2 — CID 11171068

IUPACethyl N-ethylcarbamodithioate
SMILESCCNC(=S)SCC
InChIInChI=1S/C5H11NS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBYYRORLJHHLQQU-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.63
Rot. Bonds2

About ethyl N-ethylcarbamodithioate

ethyl N-ethylcarbamodithioate (PubChem CID 11171068) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is ethyl N-ethylcarbamodithioate.

Molecular Properties

Compound Nameethyl N-ethylcarbamodithioate
PubChem CID11171068
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Nameethyl N-ethylcarbamodithioate
SMILESCCNC(=S)SCC
InChIInChI=1S/C5H11NS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBYYRORLJHHLQQU-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propyl ethyldithiocarbamate
CID 3034736
Ethyl butyldithiocarbamate
CID 3034385
Butyl ethyldithiocarbamate
CID 19991895
Carbamodithioic acid, N-ethyl-, methyl ester
CID 3034999
[2-(Methylsulfanyl)ethyl]thiourea
CID 63965554
Butyl methylaminodithiocarbamate
CID 5463667
Ethyl methylaminodithiocarbamate
CID 5463668
Propyl methylaminodithiocarbamate
CID 5463669
methyl N-propylcarbamodithioate
CID 55288017
methyl N-(2-fluoroethyl)carbamodithioate
CID 140971410
propyl N-propylcarbamodithioate
CID 14345046
2-(methylcarbamothioylamino)ethyl N-methylcarbamodithioate
CID 134989226

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethylcarbamodithioate?
The IUPAC name of ethyl N-ethylcarbamodithioate (CID 11171068) is ethyl N-ethylcarbamodithioate.
What is the SMILES notation for ethyl N-ethylcarbamodithioate?
The canonical SMILES for ethyl N-ethylcarbamodithioate is CCNC(=S)SCC.
What is the InChIKey of ethyl N-ethylcarbamodithioate?
The InChIKey is BYYRORLJHHLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of ethyl N-ethylcarbamodithioate?
ethyl N-ethylcarbamodithioate has a molecular weight of 149.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylcarbamodithioate is sourced from PubChem (CID 11171068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).