CID 134895223

C11H21LiO2S2 — CID 134895223

IUPAC—
SMILESCCOC(C)OCCC[C-]1SCCCS1.[Li+]
InChIInChI=1S/C11H21O2S2.Li/c1-3-12-10(2)13-7-4-6-11-14-8-5-9-15-11;/h10H,3-9H2,1-2H3;/q-1;+1
InChIKeyMDYVGMWZPAPQDO-UHFFFAOYSA-N
MW256.36 g/mol
LogP0.53
Rot. Bonds7

About CID 134895223

CID 134895223 (PubChem CID 134895223) has the molecular formula C11H21LiO2S2 and a molecular weight of 256.36 g/mol.

Molecular Properties

Compound NameCID 134895223
PubChem CID134895223
Molecular FormulaC11H21LiO2S2
Molecular Weight256.36 g/mol
Exact Mass256.11
IUPAC Name—
SMILESCCOC(C)OCCC[C-]1SCCCS1.[Li+]
InChIInChI=1S/C11H21O2S2.Li/c1-3-12-10(2)13-7-4-6-11-14-8-5-9-15-11;/h10H,3-9H2,1-2H3;/q-1;+1
InChIKeyMDYVGMWZPAPQDO-UHFFFAOYSA-N
XLogP0.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134895223?
The IUPAC name of CID 134895223 (CID 134895223) is not available.
What is the SMILES notation for CID 134895223?
The canonical SMILES for CID 134895223 is CCOC(C)OCCC[C-]1SCCCS1.[Li+].
What is the InChIKey of CID 134895223?
The InChIKey is MDYVGMWZPAPQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2S2.Li/c1-3-12-10(2)13-7-4-6-11-14-8-5-9-15-11;/h10H,3-9H2,1-2H3;/q-1;+1.
What are the key properties of CID 134895223?
CID 134895223 has a molecular weight of 256.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134895223 is sourced from PubChem (CID 134895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).