CID 174755451

C4H11BOS — CID 174755451

IUPAC—
SMILESCCSCC.[B]O
InChIInChI=1S/C4H10S.BHO/c1-3-5-4-2;1-2/h3-4H2,1-2H3;2H
InChIKeyGRAXPKHVTGAYPG-UHFFFAOYSA-N
MW118.01 g/mol
LogP0.82
Rot. Bonds2

About CID 174755451

CID 174755451 (PubChem CID 174755451) has the molecular formula C4H11BOS and a molecular weight of 118.01 g/mol.

Molecular Properties

Compound NameCID 174755451
PubChem CID174755451
Molecular FormulaC4H11BOS
Molecular Weight118.01 g/mol
Exact Mass118.06
IUPAC Name—
SMILESCCSCC.[B]O
InChIInChI=1S/C4H10S.BHO/c1-3-5-4-2;1-2/h3-4H2,1-2H3;2H
InChIKeyGRAXPKHVTGAYPG-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.01
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174755451?
The IUPAC name of CID 174755451 (CID 174755451) is not available.
What is the SMILES notation for CID 174755451?
The canonical SMILES for CID 174755451 is CCSCC.[B]O.
What is the InChIKey of CID 174755451?
The InChIKey is GRAXPKHVTGAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.BHO/c1-3-5-4-2;1-2/h3-4H2,1-2H3;2H.
What are the key properties of CID 174755451?
CID 174755451 has a molecular weight of 118.01 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174755451 is sourced from PubChem (CID 174755451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).