CID 174466739

C6H13BS — CID 174466739

IUPAC—
SMILES[B]CSCCC(C)C
InChIInChI=1S/C6H13BS/c1-6(2)3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyFCTXDUKMZYVGND-UHFFFAOYSA-N
MW128.05 g/mol
LogP1.89
Rot. Bonds4

About CID 174466739

CID 174466739 (PubChem CID 174466739) has the molecular formula C6H13BS and a molecular weight of 128.05 g/mol.

Molecular Properties

Compound NameCID 174466739
PubChem CID174466739
Molecular FormulaC6H13BS
Molecular Weight128.05 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[B]CSCCC(C)C
InChIInChI=1S/C6H13BS/c1-6(2)3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyFCTXDUKMZYVGND-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174466739?
The IUPAC name of CID 174466739 (CID 174466739) is not available.
What is the SMILES notation for CID 174466739?
The canonical SMILES for CID 174466739 is [B]CSCCC(C)C.
What is the InChIKey of CID 174466739?
The InChIKey is FCTXDUKMZYVGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BS/c1-6(2)3-4-8-5-7/h6H,3-5H2,1-2H3.
What are the key properties of CID 174466739?
CID 174466739 has a molecular weight of 128.05 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174466739 is sourced from PubChem (CID 174466739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).