[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate

C16H24N2S4 — CID 12851427

IUPAC[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate
SMILESCCNC1=C(C(=S)SSC(=S)C2=C(NCC)CCC2)CCC1
InChIInChI=1S/C16H24N2S4/c1-3-17-13-9-5-7-11(13)15(19)21-22-16(20)12-8-6-10-14(12)18-4-2/h17-18H,3-10H2,1-2H3
InChIKeyKSRBLMBTFSXSBM-UHFFFAOYSA-N
MW372.65 g/mol
LogP5.12
Rot. Bonds6

About [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate

[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate (PubChem CID 12851427) has the molecular formula C16H24N2S4 and a molecular weight of 372.65 g/mol. Its IUPAC name is [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate.

Molecular Properties

Compound Name[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate
PubChem CID12851427
Molecular FormulaC16H24N2S4
Molecular Weight372.65 g/mol
Exact Mass372.08
IUPAC Name[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate
SMILESCCNC1=C(C(=S)SSC(=S)C2=C(NCC)CCC2)CCC1
InChIInChI=1S/C16H24N2S4/c1-3-17-13-9-5-7-11(13)15(19)21-22-16(20)12-8-6-10-14(12)18-4-2/h17-18H,3-10H2,1-2H3
InChIKeyKSRBLMBTFSXSBM-UHFFFAOYSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate?
The IUPAC name of [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate (CID 12851427) is [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate.
What is the SMILES notation for [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate?
The canonical SMILES for [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate is CCNC1=C(C(=S)SSC(=S)C2=C(NCC)CCC2)CCC1.
What is the InChIKey of [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate?
The InChIKey is KSRBLMBTFSXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S4/c1-3-17-13-9-5-7-11(13)15(19)21-22-16(20)12-8-6-10-14(12)18-4-2/h17-18H,3-10H2,1-2H3.
What are the key properties of [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate?
[2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate has a molecular weight of 372.65 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)cyclopentene-1-carbothioyl]sulfanyl 2-(ethylamino)cyclopentene-1-carbodithioate is sourced from PubChem (CID 12851427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).