2-ethylsulfanylcarbothioylsulfanylethanethioamide

C5H9NS4 — CID 130017795

IUPAC2-ethylsulfanylcarbothioylsulfanylethanethioamide
SMILESCCSC(=S)SCC(N)=S
InChIInChI=1S/C5H9NS4/c1-2-9-5(8)10-3-4(6)7/h2-3H2,1H3,(H2,6,7)
InChIKeyWFJVAKCFYJFGEB-UHFFFAOYSA-N
MW211.40 g/mol
LogP2.04
Rot. Bonds3

About 2-ethylsulfanylcarbothioylsulfanylethanethioamide

2-ethylsulfanylcarbothioylsulfanylethanethioamide (PubChem CID 130017795) has the molecular formula C5H9NS4 and a molecular weight of 211.40 g/mol. Its IUPAC name is 2-ethylsulfanylcarbothioylsulfanylethanethioamide.

Molecular Properties

Compound Name2-ethylsulfanylcarbothioylsulfanylethanethioamide
PubChem CID130017795
Molecular FormulaC5H9NS4
Molecular Weight211.40 g/mol
Exact Mass210.96
IUPAC Name2-ethylsulfanylcarbothioylsulfanylethanethioamide
SMILESCCSC(=S)SCC(N)=S
InChIInChI=1S/C5H9NS4/c1-2-9-5(8)10-3-4(6)7/h2-3H2,1H3,(H2,6,7)
InChIKeyWFJVAKCFYJFGEB-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylcarbothioylsulfanylethanethioamide?
The IUPAC name of 2-ethylsulfanylcarbothioylsulfanylethanethioamide (CID 130017795) is 2-ethylsulfanylcarbothioylsulfanylethanethioamide.
What is the SMILES notation for 2-ethylsulfanylcarbothioylsulfanylethanethioamide?
The canonical SMILES for 2-ethylsulfanylcarbothioylsulfanylethanethioamide is CCSC(=S)SCC(N)=S.
What is the InChIKey of 2-ethylsulfanylcarbothioylsulfanylethanethioamide?
The InChIKey is WFJVAKCFYJFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS4/c1-2-9-5(8)10-3-4(6)7/h2-3H2,1H3,(H2,6,7).
What are the key properties of 2-ethylsulfanylcarbothioylsulfanylethanethioamide?
2-ethylsulfanylcarbothioylsulfanylethanethioamide has a molecular weight of 211.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylcarbothioylsulfanylethanethioamide is sourced from PubChem (CID 130017795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).