CID 23070262

C10H16BNaO2S- — CID 23070262

IUPAC—
SMILESCCCCCCc1ccsc1.[Na+].[O-][B][O-]
InChIInChI=1S/C10H16S.BO2.Na/c1-2-3-4-5-6-10-7-8-11-9-10;2-1-3;/h7-9H,2-6H2,1H3;;/q;-2;+1
InChIKeyJAISESZXVCUGTP-UHFFFAOYSA-N
MW234.10 g/mol
LogP-1.88
Rot. Bonds5

About CID 23070262

CID 23070262 (PubChem CID 23070262) has the molecular formula C10H16BNaO2S- and a molecular weight of 234.10 g/mol.

Molecular Properties

Compound NameCID 23070262
PubChem CID23070262
Molecular FormulaC10H16BNaO2S-
Molecular Weight234.10 g/mol
Exact Mass234.09
IUPAC Name—
SMILESCCCCCCc1ccsc1.[Na+].[O-][B][O-]
InChIInChI=1S/C10H16S.BO2.Na/c1-2-3-4-5-6-10-7-8-11-9-10;2-1-3;/h7-9H,2-6H2,1H3;;/q;-2;+1
InChIKeyJAISESZXVCUGTP-UHFFFAOYSA-N
XLogP-1.88
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71363861
3-(6,6-dimethylheptyl)thiophene
CID 174801737
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CID 60751767
azane;3-(6,6-dimethylheptyl)thiophene
CID 174801736
3-(2-hexyldecyl)thiophene
CID 67456553

Frequently Asked Questions

What is the IUPAC name of CID 23070262?
The IUPAC name of CID 23070262 (CID 23070262) is not available.
What is the SMILES notation for CID 23070262?
The canonical SMILES for CID 23070262 is CCCCCCc1ccsc1.[Na+].[O-][B][O-].
What is the InChIKey of CID 23070262?
The InChIKey is JAISESZXVCUGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S.BO2.Na/c1-2-3-4-5-6-10-7-8-11-9-10;2-1-3;/h7-9H,2-6H2,1H3;;/q;-2;+1.
What are the key properties of CID 23070262?
CID 23070262 has a molecular weight of 234.10 g/mol, XLogP of -1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23070262 is sourced from PubChem (CID 23070262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).