CID 174013761

C4H8BNOS — CID 174013761

IUPAC—
SMILES[B]N=S(C)(=O)C1CC1
InChIInChI=1S/C4H8BNOS/c1-8(7,6-5)4-2-3-4/h4H,2-3H2,1H3
InChIKeyNRMPWUSNVVWNHW-UHFFFAOYSA-N
MW128.99 g/mol
LogP0.33
Rot. Bonds1

About CID 174013761

CID 174013761 (PubChem CID 174013761) has the molecular formula C4H8BNOS and a molecular weight of 128.99 g/mol.

Molecular Properties

Compound NameCID 174013761
PubChem CID174013761
Molecular FormulaC4H8BNOS
Molecular Weight128.99 g/mol
Exact Mass129.04
IUPAC Name—
SMILES[B]N=S(C)(=O)C1CC1
InChIInChI=1S/C4H8BNOS/c1-8(7,6-5)4-2-3-4/h4H,2-3H2,1H3
InChIKeyNRMPWUSNVVWNHW-UHFFFAOYSA-N
XLogP0.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 50.33
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 174013761?
The IUPAC name of CID 174013761 (CID 174013761) is not available.
What is the SMILES notation for CID 174013761?
The canonical SMILES for CID 174013761 is [B]N=S(C)(=O)C1CC1.
What is the InChIKey of CID 174013761?
The InChIKey is NRMPWUSNVVWNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BNOS/c1-8(7,6-5)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of CID 174013761?
CID 174013761 has a molecular weight of 128.99 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174013761 is sourced from PubChem (CID 174013761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).