ethanethiol;tribromoalumane

C2H6AlBr3S — CID 11324936

IUPACethanethiol;tribromoalumane
SMILESBr[Al](Br)Br.CCS
InChIInChI=1S/C2H6S.Al.3BrH/c1-2-3;;;;/h3H,2H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyPHXDCVTYGGAAKR-UHFFFAOYSA-K
MW328.83 g/mol
LogP3.09
Rot. Bonds

About ethanethiol;tribromoalumane

ethanethiol;tribromoalumane (PubChem CID 11324936) has the molecular formula C2H6AlBr3S and a molecular weight of 328.83 g/mol. Its IUPAC name is ethanethiol;tribromoalumane.

Molecular Properties

Compound Nameethanethiol;tribromoalumane
PubChem CID11324936
Molecular FormulaC2H6AlBr3S
Molecular Weight328.83 g/mol
Exact Mass325.76
IUPAC Nameethanethiol;tribromoalumane
SMILESBr[Al](Br)Br.CCS
InChIInChI=1S/C2H6S.Al.3BrH/c1-2-3;;;;/h3H,2H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyPHXDCVTYGGAAKR-UHFFFAOYSA-K
XLogP3.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethanethiol;tribromoalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2-13C2)ethanethiol
CID 169439901
ethane-1,2-diol;ethanethiol
CID 160845424
ethanethiol;methyl(sulfanylidene)borane
CID 90969784
ethanethiol;phosphoric acid
CID 175577772
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
ethanesulfonic acid;ethanethiol
CID 22731724
sodium;ethanethiol;hydride;sulfuric acid
CID 173063169
ethanethiolate;sulfanylmethanethiolate;yttrium
CID 59876608
dibromo(propoxy)alumane
CID 139634122
diethoxy(methyl)silane;ethanethiol
CID 174413164
1,3-dithiole;ethanethiol
CID 175089373
ethanamine;ethanethiol;sulfuric acid
CID 175094408

Frequently Asked Questions

What is the IUPAC name of ethanethiol;tribromoalumane?
The IUPAC name of ethanethiol;tribromoalumane (CID 11324936) is ethanethiol;tribromoalumane.
What is the SMILES notation for ethanethiol;tribromoalumane?
The canonical SMILES for ethanethiol;tribromoalumane is Br[Al](Br)Br.CCS.
What is the InChIKey of ethanethiol;tribromoalumane?
The InChIKey is PHXDCVTYGGAAKR-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H6S.Al.3BrH/c1-2-3;;;;/h3H,2H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of ethanethiol;tribromoalumane?
ethanethiol;tribromoalumane has a molecular weight of 328.83 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;tribromoalumane is sourced from PubChem (CID 11324936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).