3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione

C14H22S3 — CID 59755446

IUPAC3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCCCCCCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C14H22S3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15H,2-10H2,1H3
InChIKeyFAUZBMONOYRWNE-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.99
Rot. Bonds9

About 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione

3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione (PubChem CID 59755446) has the molecular formula C14H22S3 and a molecular weight of 286.53 g/mol. Its IUPAC name is 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione
PubChem CID59755446
Molecular FormulaC14H22S3
Molecular Weight286.53 g/mol
Exact Mass286.09
IUPAC Name3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCCCCCCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C14H22S3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15H,2-10H2,1H3
InChIKeyFAUZBMONOYRWNE-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione (CID 59755446) is 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione is CCCCCCCCCCc1c(S)c(=S)c1=S.
What is the InChIKey of 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The InChIKey is FAUZBMONOYRWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S3/c1-2-3-4-5-6-7-8-9-10-11-12(15)14(17)13(11)16/h15H,2-10H2,1H3.
What are the key properties of 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione has a molecular weight of 286.53 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-sulfanylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 59755446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).