CID 59508817

C3H9S2+ — CID 59508817

IUPAC—
SMILESC=[SH+](C)SC
InChIInChI=1S/C3H8S2/c1-4-5(2)3/h2H2,1,3H3/p+1
InChIKeyGQRYJEINWHDKNB-UHFFFAOYSA-O
MW109.24 g/mol
LogP0.68
Rot. Bonds1

About CID 59508817

CID 59508817 (PubChem CID 59508817) has the molecular formula C3H9S2+ and a molecular weight of 109.24 g/mol.

Molecular Properties

Compound NameCID 59508817
PubChem CID59508817
Molecular FormulaC3H9S2+
Molecular Weight109.24 g/mol
Exact Mass109.01
IUPAC Name—
SMILESC=[SH+](C)SC
InChIInChI=1S/C3H8S2/c1-4-5(2)3/h2H2,1,3H3/p+1
InChIKeyGQRYJEINWHDKNB-UHFFFAOYSA-O
XLogP0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59508817?
The IUPAC name of CID 59508817 (CID 59508817) is not available.
What is the SMILES notation for CID 59508817?
The canonical SMILES for CID 59508817 is C=[SH+](C)SC.
What is the InChIKey of CID 59508817?
The InChIKey is GQRYJEINWHDKNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8S2/c1-4-5(2)3/h2H2,1,3H3/p+1.
What are the key properties of CID 59508817?
CID 59508817 has a molecular weight of 109.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59508817 is sourced from PubChem (CID 59508817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).