CID 123682153

C8H9OS- — CID 123682153

IUPAC—
SMILES[CH2-]c1ccc(S(C)=O)cc1
InChIInChI=1S/C8H9OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1H2,2H3/q-1
InChIKeyGDWPBJFFOJYPBW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.61
Rot. Bonds1

About CID 123682153

CID 123682153 (PubChem CID 123682153) has the molecular formula C8H9OS- and a molecular weight of 153.23 g/mol.

Molecular Properties

Compound NameCID 123682153
PubChem CID123682153
Molecular FormulaC8H9OS-
Molecular Weight153.23 g/mol
Exact Mass153.04
IUPAC Name—
SMILES[CH2-]c1ccc(S(C)=O)cc1
InChIInChI=1S/C8H9OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1H2,2H3/q-1
InChIKeyGDWPBJFFOJYPBW-UHFFFAOYSA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 123682153?
The IUPAC name of CID 123682153 (CID 123682153) is not available.
What is the SMILES notation for CID 123682153?
The canonical SMILES for CID 123682153 is [CH2-]c1ccc(S(C)=O)cc1.
What is the InChIKey of CID 123682153?
The InChIKey is GDWPBJFFOJYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1H2,2H3/q-1.
What are the key properties of CID 123682153?
CID 123682153 has a molecular weight of 153.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123682153 is sourced from PubChem (CID 123682153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).