CID 175294092

C10H8ClO3S- — CID 175294092

IUPAC—
SMILESO=S([O-])Cl.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.ClHO2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7,11H;(H,2,3)/p-1
InChIKeyYKHZKSCDOSPCAO-UHFFFAOYSA-M
MW243.69 g/mol
LogP2.56
Rot. Bonds

About CID 175294092

CID 175294092 (PubChem CID 175294092) has the molecular formula C10H8ClO3S- and a molecular weight of 243.69 g/mol.

Molecular Properties

Compound NameCID 175294092
PubChem CID175294092
Molecular FormulaC10H8ClO3S-
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name—
SMILESO=S([O-])Cl.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.ClHO2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7,11H;(H,2,3)/p-1
InChIKeyYKHZKSCDOSPCAO-UHFFFAOYSA-M
XLogP2.56
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175263139
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butane;naphthalen-1-ol
CID 142905950
sodium;hydride;naphthalen-1-ol;phosphoric acid
CID 174705460
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naphthalen-1-ol;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 175294092?
The IUPAC name of CID 175294092 (CID 175294092) is not available.
What is the SMILES notation for CID 175294092?
The canonical SMILES for CID 175294092 is O=S([O-])Cl.Oc1cccc2ccccc12.
What is the InChIKey of CID 175294092?
The InChIKey is YKHZKSCDOSPCAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O.ClHO2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7,11H;(H,2,3)/p-1.
What are the key properties of CID 175294092?
CID 175294092 has a molecular weight of 243.69 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175294092 is sourced from PubChem (CID 175294092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).