aluminum 2,3-dimethylbenzenethiol

C8H10AlS+3 — CID 19021809

IUPACaluminum 2,3-dimethylbenzenethiol
SMILESCc1cccc(S)c1C.[Al+3]
InChIInChI=1S/C8H10S.Al/c1-6-4-3-5-8(9)7(6)2;/h3-5,9H,1-2H3;/q;+3
InChIKeyGLQALBIJHKHRCF-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.21
Rot. Bonds

About aluminum 2,3-dimethylbenzenethiol

aluminum 2,3-dimethylbenzenethiol (PubChem CID 19021809) has the molecular formula C8H10AlS+3 and a molecular weight of 165.22 g/mol. Its IUPAC name is aluminum 2,3-dimethylbenzenethiol.

Molecular Properties

Compound Namealuminum 2,3-dimethylbenzenethiol
PubChem CID19021809
Molecular FormulaC8H10AlS+3
Molecular Weight165.22 g/mol
Exact Mass165.03
IUPAC Namealuminum 2,3-dimethylbenzenethiol
SMILESCc1cccc(S)c1C.[Al+3]
InChIInChI=1S/C8H10S.Al/c1-6-4-3-5-8(9)7(6)2;/h3-5,9H,1-2H3;/q;+3
InChIKeyGLQALBIJHKHRCF-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbenzenethiol;4-methylbenzenethiol
CID 67042315
2-methyl-3-(2-methylphenyl)sulfanylbenzenethiol
CID 54090718
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
2-methylbenzenethiol;pentahydrofluoride
CID 173133348
ethane;2-methyl-3-sulfanylphenol
CID 143478327
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
CID 11631636
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
3-chloro-2-methylbenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469109
7-methylchrysene-1-thiol
CID 143948531

Frequently Asked Questions

What is the IUPAC name of aluminum 2,3-dimethylbenzenethiol?
The IUPAC name of aluminum 2,3-dimethylbenzenethiol (CID 19021809) is aluminum 2,3-dimethylbenzenethiol.
What is the SMILES notation for aluminum 2,3-dimethylbenzenethiol?
The canonical SMILES for aluminum 2,3-dimethylbenzenethiol is Cc1cccc(S)c1C.[Al+3].
What is the InChIKey of aluminum 2,3-dimethylbenzenethiol?
The InChIKey is GLQALBIJHKHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.Al/c1-6-4-3-5-8(9)7(6)2;/h3-5,9H,1-2H3;/q;+3.
What are the key properties of aluminum 2,3-dimethylbenzenethiol?
aluminum 2,3-dimethylbenzenethiol has a molecular weight of 165.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum 2,3-dimethylbenzenethiol is sourced from PubChem (CID 19021809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).