propa-1,2-diene-1,1-dithiol

C3H4S2 — CID 88814621

IUPACpropa-1,2-diene-1,1-dithiol
SMILESC=C=C(S)S
InChIInChI=1S/C3H4S2/c1-2-3(4)5/h4-5H,1H2
InChIKeyRXOUYOIWFTYIBD-UHFFFAOYSA-N
MW104.20 g/mol
LogP1.47
Rot. Bonds

About propa-1,2-diene-1,1-dithiol

propa-1,2-diene-1,1-dithiol (PubChem CID 88814621) has the molecular formula C3H4S2 and a molecular weight of 104.20 g/mol. Its IUPAC name is propa-1,2-diene-1,1-dithiol.

Molecular Properties

Compound Namepropa-1,2-diene-1,1-dithiol
PubChem CID88814621
Molecular FormulaC3H4S2
Molecular Weight104.20 g/mol
Exact Mass103.98
IUPAC Namepropa-1,2-diene-1,1-dithiol
SMILESC=C=C(S)S
InChIInChI=1S/C3H4S2/c1-2-3(4)5/h4-5H,1H2
InChIKeyRXOUYOIWFTYIBD-UHFFFAOYSA-N
XLogP1.47
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 51.47
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 propa-1,2-diene-1,1-dithiol?
The IUPAC name of propa-1,2-diene-1,1-dithiol (CID 88814621) is propa-1,2-diene-1,1-dithiol.
What is the SMILES notation for propa-1,2-diene-1,1-dithiol?
The canonical SMILES for propa-1,2-diene-1,1-dithiol is C=C=C(S)S.
What is the InChIKey of propa-1,2-diene-1,1-dithiol?
The InChIKey is RXOUYOIWFTYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S2/c1-2-3(4)5/h4-5H,1H2.
What are the key properties of propa-1,2-diene-1,1-dithiol?
propa-1,2-diene-1,1-dithiol has a molecular weight of 104.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene-1,1-dithiol is sourced from PubChem (CID 88814621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).