3-thiophen-3-ylprop-2-ene-1-thiol

C7H8S2 — CID 169454515

IUPAC3-thiophen-3-ylprop-2-ene-1-thiol
SMILESSCC=Cc1ccsc1
InChIInChI=1S/C7H8S2/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6,8H,4H2
InChIKeyMQGJNENDBGGSDM-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.69
Rot. Bonds2

About 3-thiophen-3-ylprop-2-ene-1-thiol

3-thiophen-3-ylprop-2-ene-1-thiol (PubChem CID 169454515) has the molecular formula C7H8S2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-thiophen-3-ylprop-2-ene-1-thiol.

Molecular Properties

Compound Name3-thiophen-3-ylprop-2-ene-1-thiol
PubChem CID169454515
Molecular FormulaC7H8S2
Molecular Weight156.27 g/mol
Exact Mass156.01
IUPAC Name3-thiophen-3-ylprop-2-ene-1-thiol
SMILESSCC=Cc1ccsc1
InChIInChI=1S/C7H8S2/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6,8H,4H2
InChIKeyMQGJNENDBGGSDM-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
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 3-thiophen-3-ylprop-2-ene-1-thiol?
The IUPAC name of 3-thiophen-3-ylprop-2-ene-1-thiol (CID 169454515) is 3-thiophen-3-ylprop-2-ene-1-thiol.
What is the SMILES notation for 3-thiophen-3-ylprop-2-ene-1-thiol?
The canonical SMILES for 3-thiophen-3-ylprop-2-ene-1-thiol is SCC=Cc1ccsc1.
What is the InChIKey of 3-thiophen-3-ylprop-2-ene-1-thiol?
The InChIKey is MQGJNENDBGGSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S2/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6,8H,4H2.
What are the key properties of 3-thiophen-3-ylprop-2-ene-1-thiol?
3-thiophen-3-ylprop-2-ene-1-thiol has a molecular weight of 156.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylprop-2-ene-1-thiol is sourced from PubChem (CID 169454515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).