CID 118643196

C12H10LiS — CID 118643196

IUPAC—
SMILESSc1ccc(-c2ccccc2)cc1.[Li]
InChIInChI=1S/C12H10S.Li/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H;
InChIKeySIASZQNZTIIDQE-UHFFFAOYSA-N
MW193.22 g/mol
LogP3.26
Rot. Bonds1

About CID 118643196

CID 118643196 (PubChem CID 118643196) has the molecular formula C12H10LiS and a molecular weight of 193.22 g/mol.

Molecular Properties

Compound NameCID 118643196
PubChem CID118643196
Molecular FormulaC12H10LiS
Molecular Weight193.22 g/mol
Exact Mass193.07
IUPAC Name—
SMILESSc1ccc(-c2ccccc2)cc1.[Li]
InChIInChI=1S/C12H10S.Li/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H;
InChIKeySIASZQNZTIIDQE-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 118643196?
The IUPAC name of CID 118643196 (CID 118643196) is not available.
What is the SMILES notation for CID 118643196?
The canonical SMILES for CID 118643196 is Sc1ccc(-c2ccccc2)cc1.[Li].
What is the InChIKey of CID 118643196?
The InChIKey is SIASZQNZTIIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.Li/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13H;.
What are the key properties of CID 118643196?
CID 118643196 has a molecular weight of 193.22 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118643196 is sourced from PubChem (CID 118643196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).