CID 173053941

C2H5BOS — CID 173053941

IUPAC—
SMILES[B]CS(C)=O
InChIInChI=1S/C2H5BOS/c1-5(4)2-3/h2H2,1H3
InChIKeyFGJOVZHRAVJEGO-UHFFFAOYSA-N
MW87.94 g/mol
LogP-0.51
Rot. Bonds1

About CID 173053941

CID 173053941 (PubChem CID 173053941) has the molecular formula C2H5BOS and a molecular weight of 87.94 g/mol.

Molecular Properties

Compound NameCID 173053941
PubChem CID173053941
Molecular FormulaC2H5BOS
Molecular Weight87.94 g/mol
Exact Mass88.02
IUPAC Name—
SMILES[B]CS(C)=O
InChIInChI=1S/C2H5BOS/c1-5(4)2-3/h2H2,1H3
InChIKeyFGJOVZHRAVJEGO-UHFFFAOYSA-N
XLogP-0.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.94
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane-1,2-diol;methylsulfinylmethane
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methylsulfinylformic acid
CID 57268856
methylsulfinyl(methylsulfonyl)methane
CID 21411153
dibromoruthenium;methylsulfinylmethane
CID 15792891
methylsulfinylmethane;rhodium(3+);trichloride
CID 172999990
methylsulfinylmethane;molecular hydrogen
CID 20504873

Frequently Asked Questions

What is the IUPAC name of CID 173053941?
The IUPAC name of CID 173053941 (CID 173053941) is not available.
What is the SMILES notation for CID 173053941?
The canonical SMILES for CID 173053941 is [B]CS(C)=O.
What is the InChIKey of CID 173053941?
The InChIKey is FGJOVZHRAVJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BOS/c1-5(4)2-3/h2H2,1H3.
What are the key properties of CID 173053941?
CID 173053941 has a molecular weight of 87.94 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173053941 is sourced from PubChem (CID 173053941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).