32-bromodotriacontane-1-thiol

C32H65BrS — CID 87683296

IUPAC32-bromodotriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C32H65BrS/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34/h34H,1-32H2
InChIKeyDRQVLGRUKYIJLB-UHFFFAOYSA-N
MW561.84 g/mol
LogP13.01
Rot. Bonds31

About 32-bromodotriacontane-1-thiol

32-bromodotriacontane-1-thiol (PubChem CID 87683296) has the molecular formula C32H65BrS and a molecular weight of 561.84 g/mol. Its IUPAC name is 32-bromodotriacontane-1-thiol.

Molecular Properties

Compound Name32-bromodotriacontane-1-thiol
PubChem CID87683296
Molecular FormulaC32H65BrS
Molecular Weight561.84 g/mol
Exact Mass560.40
IUPAC Name32-bromodotriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C32H65BrS/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34/h34H,1-32H2
InChIKeyDRQVLGRUKYIJLB-UHFFFAOYSA-N
XLogP13.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.84
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 32-bromodotriacontane-1-thiol?
The IUPAC name of 32-bromodotriacontane-1-thiol (CID 87683296) is 32-bromodotriacontane-1-thiol.
What is the SMILES notation for 32-bromodotriacontane-1-thiol?
The canonical SMILES for 32-bromodotriacontane-1-thiol is SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 32-bromodotriacontane-1-thiol?
The InChIKey is DRQVLGRUKYIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65BrS/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34/h34H,1-32H2.
What are the key properties of 32-bromodotriacontane-1-thiol?
32-bromodotriacontane-1-thiol has a molecular weight of 561.84 g/mol, XLogP of 13.01, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 32-bromodotriacontane-1-thiol is sourced from PubChem (CID 87683296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).