CID 173237034

HO3STi- — CID 173237034

IUPAC—
SMILESO=[S-](=O)O.[Ti]
InChIInChI=1S/HO3S.Ti/c1-4(2)3;/h(H,1,2,3);/q-1;
InChIKeyHDQIYHRWNDMBKF-UHFFFAOYSA-N
MW128.94 g/mol
LogP-0.23
Rot. Bonds

About CID 173237034

CID 173237034 (PubChem CID 173237034) has the molecular formula HO3STi- and a molecular weight of 128.94 g/mol.

Molecular Properties

Compound NameCID 173237034
PubChem CID173237034
Molecular FormulaHO3STi-
Molecular Weight128.94 g/mol
Exact Mass128.91
IUPAC Name—
SMILESO=[S-](=O)O.[Ti]
InChIInChI=1S/HO3S.Ti/c1-4(2)3;/h(H,1,2,3);/q-1;
InChIKeyHDQIYHRWNDMBKF-UHFFFAOYSA-N
XLogP-0.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.94
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173237034?
The IUPAC name of CID 173237034 (CID 173237034) is not available.
What is the SMILES notation for CID 173237034?
The canonical SMILES for CID 173237034 is O=[S-](=O)O.[Ti].
What is the InChIKey of CID 173237034?
The InChIKey is HDQIYHRWNDMBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/HO3S.Ti/c1-4(2)3;/h(H,1,2,3);/q-1;.
What are the key properties of CID 173237034?
CID 173237034 has a molecular weight of 128.94 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173237034 is sourced from PubChem (CID 173237034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).