3-methylthiolane-2-thiol

C5H10S2 — CID 131969015

IUPAC3-methylthiolane-2-thiol
SMILESCC1CCSC1S
InChIInChI=1S/C5H10S2/c1-4-2-3-7-5(4)6/h4-6H,2-3H2,1H3
InChIKeyALFFPVGJQHUURA-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.02
Rot. Bonds

About 3-methylthiolane-2-thiol

3-methylthiolane-2-thiol (PubChem CID 131969015) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 3-methylthiolane-2-thiol.

Molecular Properties

Compound Name3-methylthiolane-2-thiol
PubChem CID131969015
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name3-methylthiolane-2-thiol
SMILESCC1CCSC1S
InChIInChI=1S/C5H10S2/c1-4-2-3-7-5(4)6/h4-6H,2-3H2,1H3
InChIKeyALFFPVGJQHUURA-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.02
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-methylthiolane-2-thiol?
The IUPAC name of 3-methylthiolane-2-thiol (CID 131969015) is 3-methylthiolane-2-thiol.
What is the SMILES notation for 3-methylthiolane-2-thiol?
The canonical SMILES for 3-methylthiolane-2-thiol is CC1CCSC1S.
What is the InChIKey of 3-methylthiolane-2-thiol?
The InChIKey is ALFFPVGJQHUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-4-2-3-7-5(4)6/h4-6H,2-3H2,1H3.
What are the key properties of 3-methylthiolane-2-thiol?
3-methylthiolane-2-thiol has a molecular weight of 134.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiolane-2-thiol is sourced from PubChem (CID 131969015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).