4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione

C9H10S4 — CID 59755493

IUPAC4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C9H10S4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10H,2-4H2,1H3
InChIKeyJIZIXBCNOHPDHD-UHFFFAOYSA-N
MW246.45 g/mol
LogP4.38
Rot. Bonds3

About 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione

4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (PubChem CID 59755493) has the molecular formula C9H10S4 and a molecular weight of 246.45 g/mol. Its IUPAC name is 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.

Molecular Properties

Compound Name4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
PubChem CID59755493
Molecular FormulaC9H10S4
Molecular Weight246.45 g/mol
Exact Mass245.97
IUPAC Name4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C9H10S4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10H,2-4H2,1H3
InChIKeyJIZIXBCNOHPDHD-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hexahydrocycloocta-1,2-dithiole-3-thione
CID 9834380
4,5,6,7,8,9,10,11-Octahydrocyclodeca[c]dithiole-3-thione
CID 44389416
2-Cyclopentene-1-thione, 2-ethyl-3-methyl-
CID 562689
13-Bromo-15-methyl-13lambda4,14-dithiabicyclo[10.3.0]pentadeca-1(15),12-diene
CID 620275
4-Methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
CID 59349721
3-Decyl-4-sulfanylcyclobut-3-ene-1,2-dithione
CID 59755446
3-Butyl-4-sulfanylcyclobut-3-ene-1,2-dithione
CID 59755453
2-Dodecyl-3-sulfanylcycloprop-2-ene-1-thione
CID 59755461
3-Octyl-4-sulfanylcyclobut-3-ene-1,2-dithione
CID 59755463
4-Dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
CID 59755465
4-Octyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
CID 59755471
4-Decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
CID 59755475

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The IUPAC name of 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (CID 59755493) is 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.
What is the SMILES notation for 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The canonical SMILES for 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is CCCCc1c(S)c(=S)c(=S)c1=S.
What is the InChIKey of 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The InChIKey is JIZIXBCNOHPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S4/c1-2-3-4-5-6(10)8(12)9(13)7(5)11/h10H,2-4H2,1H3.
What are the key properties of 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione has a molecular weight of 246.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is sourced from PubChem (CID 59755493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).