2-propyl-3-sulfanylcycloprop-2-ene-1-thione

C6H8S2 — CID 59755450

IUPAC2-propyl-3-sulfanylcycloprop-2-ene-1-thione
SMILESCCCc1c(S)c1=S
InChIInChI=1S/C6H8S2/c1-2-3-4-5(7)6(4)8/h7H,2-3H2,1H3
InChIKeyWQBYCSYYYJMVIS-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.53
Rot. Bonds2

About 2-propyl-3-sulfanylcycloprop-2-ene-1-thione

2-propyl-3-sulfanylcycloprop-2-ene-1-thione (PubChem CID 59755450) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-propyl-3-sulfanylcycloprop-2-ene-1-thione.

Molecular Properties

Compound Name2-propyl-3-sulfanylcycloprop-2-ene-1-thione
PubChem CID59755450
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name2-propyl-3-sulfanylcycloprop-2-ene-1-thione
SMILESCCCc1c(S)c1=S
InChIInChI=1S/C6H8S2/c1-2-3-4-5(7)6(4)8/h7H,2-3H2,1H3
InChIKeyWQBYCSYYYJMVIS-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-propyl-3-sulfanylcycloprop-2-ene-1-thione?
The IUPAC name of 2-propyl-3-sulfanylcycloprop-2-ene-1-thione (CID 59755450) is 2-propyl-3-sulfanylcycloprop-2-ene-1-thione.
What is the SMILES notation for 2-propyl-3-sulfanylcycloprop-2-ene-1-thione?
The canonical SMILES for 2-propyl-3-sulfanylcycloprop-2-ene-1-thione is CCCc1c(S)c1=S.
What is the InChIKey of 2-propyl-3-sulfanylcycloprop-2-ene-1-thione?
The InChIKey is WQBYCSYYYJMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-2-3-4-5(7)6(4)8/h7H,2-3H2,1H3.
What are the key properties of 2-propyl-3-sulfanylcycloprop-2-ene-1-thione?
2-propyl-3-sulfanylcycloprop-2-ene-1-thione has a molecular weight of 144.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-sulfanylcycloprop-2-ene-1-thione is sourced from PubChem (CID 59755450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).