CID 11426392

C11H9S — CID 11426392

IUPAC
SMILES[CH]1[CH][CH][C](/C=C/c2cccs2)[CH]1
InChIInChI=1S/C11H9S/c1-2-5-10(4-1)7-8-11-6-3-9-12-11/h1-9H/b8-7+
InChIKeyZTVOHDUTYZDMDG-BQYQJAHWSA-N
MW173.26 g/mol
LogP3.17
Rot. Bonds2

About CID 11426392

CID 11426392 (PubChem CID 11426392) has the molecular formula C11H9S and a molecular weight of 173.26 g/mol.

Molecular Properties

Compound NameCID 11426392
PubChem CID11426392
Molecular FormulaC11H9S
Molecular Weight173.26 g/mol
Exact Mass173.04
IUPAC Name
SMILES[CH]1[CH][CH][C](/C=C/c2cccs2)[CH]1
InChIInChI=1S/C11H9S/c1-2-5-10(4-1)7-8-11-6-3-9-12-11/h1-9H/b8-7+
InChIKeyZTVOHDUTYZDMDG-BQYQJAHWSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 11426392 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11426392?
The IUPAC name of CID 11426392 (CID 11426392) is not available.
What is the SMILES notation for CID 11426392?
The canonical SMILES for CID 11426392 is [CH]1[CH][CH][C](/C=C/c2cccs2)[CH]1.
What is the InChIKey of CID 11426392?
The InChIKey is ZTVOHDUTYZDMDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H9S/c1-2-5-10(4-1)7-8-11-6-3-9-12-11/h1-9H/b8-7+.
What are the key properties of CID 11426392?
CID 11426392 has a molecular weight of 173.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11426392 is sourced from PubChem (CID 11426392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).