1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane

C10H11BO2S — CID 161037358

IUPAC1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane
SMILES[2H]B([3H])CSOCc1cc2ccccc2o1
InChIInChI=1S/C10H11BO2S/c11-7-14-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5H,6-7,11H2/i11TD
InChIKeyFFOIXGATWUAIRQ-RFAFRTDPSA-N
MW209.09 g/mol
LogP2.19
Rot. Bonds5

About 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane

1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane (PubChem CID 161037358) has the molecular formula C10H11BO2S and a molecular weight of 209.09 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane.

Molecular Properties

Compound Name1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane
PubChem CID161037358
Molecular FormulaC10H11BO2S
Molecular Weight209.09 g/mol
Exact Mass209.07
IUPAC Name1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane
SMILES[2H]B([3H])CSOCc1cc2ccccc2o1
InChIInChI=1S/C10H11BO2S/c11-7-14-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5H,6-7,11H2/i11TD
InChIKeyFFOIXGATWUAIRQ-RFAFRTDPSA-N
XLogP2.19
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 52.19
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N-(1-benzofuran-2-ylmethoxy)methanimine
CID 174418937
1-benzofuran-2-ylmethyl formate
CID 18617223
CID 156725408
CID 156725408
1-benzofuran-2-ylmethoxy-tert-butyl-dimethylsilane
CID 135029239
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
2-decyl-1-benzofuran
CID 15365265

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane?
The IUPAC name of 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane (CID 161037358) is 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane.
What is the SMILES notation for 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane?
The canonical SMILES for 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane is [2H]B([3H])CSOCc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane?
The InChIKey is FFOIXGATWUAIRQ-RFAFRTDPSA-N. The full InChI is InChI=1S/C10H11BO2S/c11-7-14-12-6-9-5-8-3-1-2-4-10(8)13-9/h1-5H,6-7,11H2/i11TD.
What are the key properties of 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane?
1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane has a molecular weight of 209.09 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethoxysulfanylmethyl-deuterio-tritioborane is sourced from PubChem (CID 161037358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).