CID 134895118

C8H9LiOS2 — CID 134895118

IUPAC—
SMILES[Li+].c1cc([C-]2SCCCS2)co1
InChIInChI=1S/C8H9OS2.Li/c1-4-10-8(11-5-1)7-2-3-9-6-7;/h2-3,6H,1,4-5H2;/q-1;+1
InChIKeyYIOJTWBSZUVJFQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.01
Rot. Bonds1

About CID 134895118

CID 134895118 (PubChem CID 134895118) has the molecular formula C8H9LiOS2 and a molecular weight of 192.23 g/mol.

Molecular Properties

Compound NameCID 134895118
PubChem CID134895118
Molecular FormulaC8H9LiOS2
Molecular Weight192.23 g/mol
Exact Mass192.03
IUPAC Name—
SMILES[Li+].c1cc([C-]2SCCCS2)co1
InChIInChI=1S/C8H9OS2.Li/c1-4-10-8(11-5-1)7-2-3-9-6-7;/h2-3,6H,1,4-5H2;/q-1;+1
InChIKeyYIOJTWBSZUVJFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134895118?
The IUPAC name of CID 134895118 (CID 134895118) is not available.
What is the SMILES notation for CID 134895118?
The canonical SMILES for CID 134895118 is [Li+].c1cc([C-]2SCCCS2)co1.
What is the InChIKey of CID 134895118?
The InChIKey is YIOJTWBSZUVJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OS2.Li/c1-4-10-8(11-5-1)7-2-3-9-6-7;/h2-3,6H,1,4-5H2;/q-1;+1.
What are the key properties of CID 134895118?
CID 134895118 has a molecular weight of 192.23 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134895118 is sourced from PubChem (CID 134895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).