CID 174946982

C4H8BO2S — CID 174946982

IUPAC—
SMILESO=S1(=O)CCCC1.[B]
InChIInChI=1S/C4H8O2S.B/c5-7(6)3-1-2-4-7;/h1-4H2;
InChIKeySARWBRXJBFNFGJ-UHFFFAOYSA-N
MW130.99 g/mol
LogP-0.19
Rot. Bonds

About CID 174946982

CID 174946982 (PubChem CID 174946982) has the molecular formula C4H8BO2S and a molecular weight of 130.99 g/mol.

Molecular Properties

Compound NameCID 174946982
PubChem CID174946982
Molecular FormulaC4H8BO2S
Molecular Weight130.99 g/mol
Exact Mass131.03
IUPAC Name—
SMILESO=S1(=O)CCCC1.[B]
InChIInChI=1S/C4H8O2S.B/c5-7(6)3-1-2-4-7;/h1-4H2;
InChIKeySARWBRXJBFNFGJ-UHFFFAOYSA-N
XLogP-0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.99
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
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 174946982?
The IUPAC name of CID 174946982 (CID 174946982) is not available.
What is the SMILES notation for CID 174946982?
The canonical SMILES for CID 174946982 is O=S1(=O)CCCC1.[B].
What is the InChIKey of CID 174946982?
The InChIKey is SARWBRXJBFNFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.B/c5-7(6)3-1-2-4-7;/h1-4H2;.
What are the key properties of CID 174946982?
CID 174946982 has a molecular weight of 130.99 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174946982 is sourced from PubChem (CID 174946982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).