thiophene-2-thiol

C4H4S2 — CID 522674

IUPACthiophene-2-thiol
SMILESSc1cccs1
InChIInChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChIKeySWEDAZLCYJDAGW-UHFFFAOYSA-N
MW116.21 g/mol
LogP2.04
Rot. Bonds

About thiophene-2-thiol

thiophene-2-thiol (PubChem CID 522674) has the molecular formula C4H4S2 and a molecular weight of 116.21 g/mol. Its IUPAC name is thiophene-2-thiol.

Molecular Properties

Compound Namethiophene-2-thiol
PubChem CID522674
Molecular FormulaC4H4S2
Molecular Weight116.21 g/mol
Exact Mass115.98
IUPAC Namethiophene-2-thiol
SMILESSc1cccs1
InChIInChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChIKeySWEDAZLCYJDAGW-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 52.04
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 thiophene-2-thiol?
The IUPAC name of thiophene-2-thiol (CID 522674) is thiophene-2-thiol.
What is the SMILES notation for thiophene-2-thiol?
The canonical SMILES for thiophene-2-thiol is Sc1cccs1.
What is the InChIKey of thiophene-2-thiol?
The InChIKey is SWEDAZLCYJDAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H.
What are the key properties of thiophene-2-thiol?
thiophene-2-thiol has a molecular weight of 116.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-thiol is sourced from PubChem (CID 522674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).