CID 5356914

C2H3OS — CID 5356914

IUPAC—
SMILESCC(=O)[S]
InChIInChI=1S/C2H3OS/c1-2(3)4/h1H3
InChIKeyNDYPNWRBOQCUFU-UHFFFAOYSA-N
MW75.11 g/mol
LogP0.73
Rot. Bonds

About CID 5356914

CID 5356914 (PubChem CID 5356914) has the molecular formula C2H3OS and a molecular weight of 75.11 g/mol.

Molecular Properties

Compound NameCID 5356914
PubChem CID5356914
Molecular FormulaC2H3OS
Molecular Weight75.11 g/mol
Exact Mass74.99
IUPAC Name—
SMILESCC(=O)[S]
InChIInChI=1S/C2H3OS/c1-2(3)4/h1H3
InChIKeyNDYPNWRBOQCUFU-UHFFFAOYSA-N
XLogP0.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 5356914?
The IUPAC name of CID 5356914 (CID 5356914) is not available.
What is the SMILES notation for CID 5356914?
The canonical SMILES for CID 5356914 is CC(=O)[S].
What is the InChIKey of CID 5356914?
The InChIKey is NDYPNWRBOQCUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3OS/c1-2(3)4/h1H3.
What are the key properties of CID 5356914?
CID 5356914 has a molecular weight of 75.11 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5356914 is sourced from PubChem (CID 5356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).