CID 67822914

C12H12AlS — CID 67822914

IUPAC—
SMILESCc1cccc(-c2cccs2)c1C.[Al]
InChIInChI=1S/C12H12S.Al/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-12;/h3-8H,1-2H3;
InChIKeyARIBLJFXGRDRGL-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.65
Rot. Bonds1

About CID 67822914

CID 67822914 (PubChem CID 67822914) has the molecular formula C12H12AlS and a molecular weight of 215.28 g/mol.

Molecular Properties

Compound NameCID 67822914
PubChem CID67822914
Molecular FormulaC12H12AlS
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name—
SMILESCc1cccc(-c2cccs2)c1C.[Al]
InChIInChI=1S/C12H12S.Al/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-12;/h3-8H,1-2H3;
InChIKeyARIBLJFXGRDRGL-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 67822914?
The IUPAC name of CID 67822914 (CID 67822914) is not available.
What is the SMILES notation for CID 67822914?
The canonical SMILES for CID 67822914 is Cc1cccc(-c2cccs2)c1C.[Al].
What is the InChIKey of CID 67822914?
The InChIKey is ARIBLJFXGRDRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S.Al/c1-9-5-3-6-11(10(9)2)12-7-4-8-13-12;/h3-8H,1-2H3;.
What are the key properties of CID 67822914?
CID 67822914 has a molecular weight of 215.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67822914 is sourced from PubChem (CID 67822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).