CID 91569713

C5H10BS — CID 91569713

IUPAC—
SMILES[B]=CSCC(C)C
InChIInChI=1S/C5H10BS/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChIKeyZFORKTLYXTVLAI-UHFFFAOYSA-N
MW113.01 g/mol
LogP1.30
Rot. Bonds3

About CID 91569713

CID 91569713 (PubChem CID 91569713) has the molecular formula C5H10BS and a molecular weight of 113.01 g/mol.

Molecular Properties

Compound NameCID 91569713
PubChem CID91569713
Molecular FormulaC5H10BS
Molecular Weight113.01 g/mol
Exact Mass113.06
IUPAC Name—
SMILES[B]=CSCC(C)C
InChIInChI=1S/C5H10BS/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChIKeyZFORKTLYXTVLAI-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.01
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 91569713?
The IUPAC name of CID 91569713 (CID 91569713) is not available.
What is the SMILES notation for CID 91569713?
The canonical SMILES for CID 91569713 is [B]=CSCC(C)C.
What is the InChIKey of CID 91569713?
The InChIKey is ZFORKTLYXTVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BS/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3.
What are the key properties of CID 91569713?
CID 91569713 has a molecular weight of 113.01 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91569713 is sourced from PubChem (CID 91569713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).