[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate

C12H24N2S4 — CID 152932968

IUPAC[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate
SMILESCCCN(CC)C(=S)SSC(=S)N(CC)CCC
InChIInChI=1S/C12H24N2S4/c1-5-9-13(7-3)11(15)17-18-12(16)14(8-4)10-6-2/h5-10H2,1-4H3
InChIKeyULIFZRXZZCPEQT-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.40
Rot. Bonds6

About [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate

[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate (PubChem CID 152932968) has the molecular formula C12H24N2S4 and a molecular weight of 324.61 g/mol. Its IUPAC name is [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate.

Molecular Properties

Compound Name[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate
PubChem CID152932968
Molecular FormulaC12H24N2S4
Molecular Weight324.61 g/mol
Exact Mass324.08
IUPAC Name[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate
SMILESCCCN(CC)C(=S)SSC(=S)N(CC)CCC
InChIInChI=1S/C12H24N2S4/c1-5-9-13(7-3)11(15)17-18-12(16)14(8-4)10-6-2/h5-10H2,1-4H3
InChIKeyULIFZRXZZCPEQT-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate?
The IUPAC name of [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate (CID 152932968) is [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate.
What is the SMILES notation for [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate?
The canonical SMILES for [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate is CCCN(CC)C(=S)SSC(=S)N(CC)CCC.
What is the InChIKey of [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate?
The InChIKey is ULIFZRXZZCPEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S4/c1-5-9-13(7-3)11(15)17-18-12(16)14(8-4)10-6-2/h5-10H2,1-4H3.
What are the key properties of [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate?
[ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate has a molecular weight of 324.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(propyl)carbamothioyl]sulfanyl N-ethyl-N-propylcarbamodithioate is sourced from PubChem (CID 152932968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).