CID 11217757

C9H13LiS2 — CID 11217757

IUPAC—
SMILESC/C=C/C=C/[C-]1SCCCS1.[Li+]
InChIInChI=1S/C9H13S2.Li/c1-2-3-4-6-9-10-7-5-8-11-9;/h2-4,6H,5,7-8H2,1H3;/q-1;+1/b3-2+,6-4+;
InChIKeyBFASGQRNKBWITC-UOCXOWDGSA-N
MW192.28 g/mol
LogP0.48
Rot. Bonds2

About CID 11217757

CID 11217757 (PubChem CID 11217757) has the molecular formula C9H13LiS2 and a molecular weight of 192.28 g/mol.

Molecular Properties

Compound NameCID 11217757
PubChem CID11217757
Molecular FormulaC9H13LiS2
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name—
SMILESC/C=C/C=C/[C-]1SCCCS1.[Li+]
InChIInChI=1S/C9H13S2.Li/c1-2-3-4-6-9-10-7-5-8-11-9;/h2-4,6H,5,7-8H2,1H3;/q-1;+1/b3-2+,6-4+;
InChIKeyBFASGQRNKBWITC-UOCXOWDGSA-N
XLogP0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11217757?
The IUPAC name of CID 11217757 (CID 11217757) is not available.
What is the SMILES notation for CID 11217757?
The canonical SMILES for CID 11217757 is C/C=C/C=C/[C-]1SCCCS1.[Li+].
What is the InChIKey of CID 11217757?
The InChIKey is BFASGQRNKBWITC-UOCXOWDGSA-N. The full InChI is InChI=1S/C9H13S2.Li/c1-2-3-4-6-9-10-7-5-8-11-9;/h2-4,6H,5,7-8H2,1H3;/q-1;+1/b3-2+,6-4+;.
What are the key properties of CID 11217757?
CID 11217757 has a molecular weight of 192.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11217757 is sourced from PubChem (CID 11217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).