CID 59848133

C5H9S2- — CID 59848133

IUPAC—
SMILESC[C-]1SCCCS1
InChIInChI=1S/C5H9S2/c1-5-6-3-2-4-7-5/h2-4H2,1H3/q-1
InChIKeyMGLXPTHHTXFBDK-UHFFFAOYSA-N
MW133.26 g/mol
LogP2.37
Rot. Bonds

About CID 59848133

CID 59848133 (PubChem CID 59848133) has the molecular formula C5H9S2- and a molecular weight of 133.26 g/mol.

Molecular Properties

Compound NameCID 59848133
PubChem CID59848133
Molecular FormulaC5H9S2-
Molecular Weight133.26 g/mol
Exact Mass133.02
IUPAC Name—
SMILESC[C-]1SCCCS1
InChIInChI=1S/C5H9S2/c1-5-6-3-2-4-7-5/h2-4H2,1H3/q-1
InChIKeyMGLXPTHHTXFBDK-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59848133?
The IUPAC name of CID 59848133 (CID 59848133) is not available.
What is the SMILES notation for CID 59848133?
The canonical SMILES for CID 59848133 is C[C-]1SCCCS1.
What is the InChIKey of CID 59848133?
The InChIKey is MGLXPTHHTXFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9S2/c1-5-6-3-2-4-7-5/h2-4H2,1H3/q-1.
What are the key properties of CID 59848133?
CID 59848133 has a molecular weight of 133.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59848133 is sourced from PubChem (CID 59848133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).