CID 59269553

C4H6S — CID 59269553

IUPAC—
SMILES[CH]CC1CS1
InChIInChI=1S/C4H6S/c1-2-4-3-5-4/h1,4H,2-3H2
InChIKeyXZNXSPKRFYWCJK-UHFFFAOYSA-N
MW86.16 g/mol
LogP1.20
Rot. Bonds1

About CID 59269553

CID 59269553 (PubChem CID 59269553) has the molecular formula C4H6S and a molecular weight of 86.16 g/mol.

Molecular Properties

Compound NameCID 59269553
PubChem CID59269553
Molecular FormulaC4H6S
Molecular Weight86.16 g/mol
Exact Mass86.02
IUPAC Name—
SMILES[CH]CC1CS1
InChIInChI=1S/C4H6S/c1-2-4-3-5-4/h1,4H,2-3H2
InChIKeyXZNXSPKRFYWCJK-UHFFFAOYSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59269553?
The IUPAC name of CID 59269553 (CID 59269553) is not available.
What is the SMILES notation for CID 59269553?
The canonical SMILES for CID 59269553 is [CH]CC1CS1.
What is the InChIKey of CID 59269553?
The InChIKey is XZNXSPKRFYWCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S/c1-2-4-3-5-4/h1,4H,2-3H2.
What are the key properties of CID 59269553?
CID 59269553 has a molecular weight of 86.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269553 is sourced from PubChem (CID 59269553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).