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

C7H8S3 — CID 59755480

IUPAC3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C7H8S3/c1-2-3-4-5(8)7(10)6(4)9/h8H,2-3H2,1H3
InChIKeyKGCWQGMVOLVLHR-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.26
Rot. Bonds2

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

3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione (PubChem CID 59755480) has the molecular formula C7H8S3 and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione
PubChem CID59755480
Molecular FormulaC7H8S3
Molecular Weight188.34 g/mol
Exact Mass187.98
IUPAC Name3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C7H8S3/c1-2-3-4-5(8)7(10)6(4)9/h8H,2-3H2,1H3
InChIKeyKGCWQGMVOLVLHR-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione (CID 59755480) is 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione is CCCc1c(S)c(=S)c1=S.
What is the InChIKey of 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The InChIKey is KGCWQGMVOLVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S3/c1-2-3-4-5(8)7(10)6(4)9/h8H,2-3H2,1H3.
What are the key properties of 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione has a molecular weight of 188.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-sulfanylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 59755480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).