thiolane-2-thiol

C4H8S2 — CID 526191

IUPACthiolane-2-thiol
SMILESSC1CCCS1
InChIInChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2
InChIKeyMBURDTXKYKCZEZ-UHFFFAOYSA-N
MW120.24 g/mol
LogP1.77
Rot. Bonds

About thiolane-2-thiol

thiolane-2-thiol (PubChem CID 526191) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is thiolane-2-thiol.

Molecular Properties

Compound Namethiolane-2-thiol
PubChem CID526191
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Namethiolane-2-thiol
SMILESSC1CCCS1
InChIInChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2
InChIKeyMBURDTXKYKCZEZ-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.77
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 thiolane-2-thiol?
The IUPAC name of thiolane-2-thiol (CID 526191) is thiolane-2-thiol.
What is the SMILES notation for thiolane-2-thiol?
The canonical SMILES for thiolane-2-thiol is SC1CCCS1.
What is the InChIKey of thiolane-2-thiol?
The InChIKey is MBURDTXKYKCZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2.
What are the key properties of thiolane-2-thiol?
thiolane-2-thiol has a molecular weight of 120.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane-2-thiol is sourced from PubChem (CID 526191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).