CID 154603744

C4H4OS- — CID 154603744

IUPAC—
SMILES[2H]C1C=[C-]OC1[S]
InChIInChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,4H,2H2/q-1/i2D
InChIKeyBIQVVQGOOOQLES-VMNATFBRSA-N
MW101.15 g/mol
LogP1.25
Rot. Bonds

About CID 154603744

CID 154603744 (PubChem CID 154603744) has the molecular formula C4H4OS- and a molecular weight of 101.15 g/mol.

Molecular Properties

Compound NameCID 154603744
PubChem CID154603744
Molecular FormulaC4H4OS-
Molecular Weight101.15 g/mol
Exact Mass101.01
IUPAC Name—
SMILES[2H]C1C=[C-]OC1[S]
InChIInChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,4H,2H2/q-1/i2D
InChIKeyBIQVVQGOOOQLES-VMNATFBRSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydrofuran-2-thiol
CID 18319468
Furan-3-thione
CID 19370942
2,3-Dihydrofuran-3-thiol
CID 21401493
4,5-Dihydrofuran-2-thiol
CID 71441260
2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
CID 154603690
3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
CID 154603715
CID 154603745
CID 154603745

Frequently Asked Questions

What is the IUPAC name of CID 154603744?
The IUPAC name of CID 154603744 (CID 154603744) is not available.
What is the SMILES notation for CID 154603744?
The canonical SMILES for CID 154603744 is [2H]C1C=[C-]OC1[S].
What is the InChIKey of CID 154603744?
The InChIKey is BIQVVQGOOOQLES-VMNATFBRSA-N. The full InChI is InChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,4H,2H2/q-1/i2D.
What are the key properties of CID 154603744?
CID 154603744 has a molecular weight of 101.15 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154603744 is sourced from PubChem (CID 154603744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).