hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium

C5H6O3PS+ — CID 138963278

IUPAChydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium
SMILESO=[P+](O)C(O)c1cccs1
InChIInChI=1S/C5H5O3PS/c6-5(9(7)8)4-2-1-3-10-4/h1-3,5-6H/p+1
InChIKeyCITYADUMJAKKJN-UHFFFAOYSA-O
MW177.14 g/mol
LogP1.47
Rot. Bonds2

About hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium

hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium (PubChem CID 138963278) has the molecular formula C5H6O3PS+ and a molecular weight of 177.14 g/mol. Its IUPAC name is hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium
PubChem CID138963278
Molecular FormulaC5H6O3PS+
Molecular Weight177.14 g/mol
Exact Mass176.98
IUPAC Namehydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium
SMILESO=[P+](O)C(O)c1cccs1
InChIInChI=1S/C5H5O3PS/c6-5(9(7)8)4-2-1-3-10-4/h1-3,5-6H/p+1
InChIKeyCITYADUMJAKKJN-UHFFFAOYSA-O
XLogP1.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
hydroxy(thiophen-2-yl)methanesulfinic acid
CID 66873149
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
S-(2,2-dithiophen-2-ylacetyl)sulfanyl 2,2-dithiophen-2-ylethanethioate
CID 141308355
2-propan-2-ylthiophene
CID 178128598
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium?
The IUPAC name of hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium (CID 138963278) is hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium?
The canonical SMILES for hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium is O=[P+](O)C(O)c1cccs1.
What is the InChIKey of hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium?
The InChIKey is CITYADUMJAKKJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5O3PS/c6-5(9(7)8)4-2-1-3-10-4/h1-3,5-6H/p+1.
What are the key properties of hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium?
hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium has a molecular weight of 177.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium is sourced from PubChem (CID 138963278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).