prop-2-ene-1,2-dithiol

C3H6S2 — CID 88758068

IUPACprop-2-ene-1,2-dithiol
SMILESC=C(S)CS
InChIInChI=1S/C3H6S2/c1-3(5)2-4/h4-5H,1-2H2
InChIKeyPJJVRQWZSWRULF-UHFFFAOYSA-N
MW106.21 g/mol
LogP1.36
Rot. Bonds1

About prop-2-ene-1,2-dithiol

prop-2-ene-1,2-dithiol (PubChem CID 88758068) has the molecular formula C3H6S2 and a molecular weight of 106.21 g/mol. Its IUPAC name is prop-2-ene-1,2-dithiol.

Molecular Properties

Compound Nameprop-2-ene-1,2-dithiol
PubChem CID88758068
Molecular FormulaC3H6S2
Molecular Weight106.21 g/mol
Exact Mass105.99
IUPAC Nameprop-2-ene-1,2-dithiol
SMILESC=C(S)CS
InChIInChI=1S/C3H6S2/c1-3(5)2-4/h4-5H,1-2H2
InChIKeyPJJVRQWZSWRULF-UHFFFAOYSA-N
XLogP1.36
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1,2-dithiol?
The IUPAC name of prop-2-ene-1,2-dithiol (CID 88758068) is prop-2-ene-1,2-dithiol.
What is the SMILES notation for prop-2-ene-1,2-dithiol?
The canonical SMILES for prop-2-ene-1,2-dithiol is C=C(S)CS.
What is the InChIKey of prop-2-ene-1,2-dithiol?
The InChIKey is PJJVRQWZSWRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S2/c1-3(5)2-4/h4-5H,1-2H2.
What are the key properties of prop-2-ene-1,2-dithiol?
prop-2-ene-1,2-dithiol has a molecular weight of 106.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1,2-dithiol is sourced from PubChem (CID 88758068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).