[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid

C10H15O3PS2 — CID 138723763

IUPAC[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid
SMILESCc1ccc(C2CSCC(P(=O)(O)O)C2)s1
InChIInChI=1S/C10H15O3PS2/c1-7-2-3-10(16-7)8-4-9(6-15-5-8)14(11,12)13/h2-3,8-9H,4-6H2,1H3,(H2,11,12,13)
InChIKeyWCVPLJQRAYSNMK-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.82
Rot. Bonds2

About [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid

[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid (PubChem CID 138723763) has the molecular formula C10H15O3PS2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid
PubChem CID138723763
Molecular FormulaC10H15O3PS2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid
SMILESCc1ccc(C2CSCC(P(=O)(O)O)C2)s1
InChIInChI=1S/C10H15O3PS2/c1-7-2-3-10(16-7)8-4-9(6-15-5-8)14(11,12)13/h2-3,8-9H,4-6H2,1H3,(H2,11,12,13)
InChIKeyWCVPLJQRAYSNMK-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.82
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

[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid
CID 138723062
2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
CID 118423631
2-(3,5-dimethylcyclohexyl)-5-methylthiophene
CID 140576019
3-(5-methylthiophen-2-yl)azetidine
CID 130160315
3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine
CID 66227958
4-(5-methylthiophen-2-yl)azepane
CID 83260945
carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
CID 160524844
4-methyl-2-(5-methylthiophen-2-yl)cyclohexane-1-carboxylic acid
CID 81020785
1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646413
1-methyl-2-(5-methylthiophen-2-yl)pyrrolidin-3-one
CID 83831046
2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 55255317
5-(5-methylthiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 70916934

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid?
The IUPAC name of [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid (CID 138723763) is [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid.
What is the SMILES notation for [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid?
The canonical SMILES for [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid is Cc1ccc(C2CSCC(P(=O)(O)O)C2)s1.
What is the InChIKey of [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid?
The InChIKey is WCVPLJQRAYSNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PS2/c1-7-2-3-10(16-7)8-4-9(6-15-5-8)14(11,12)13/h2-3,8-9H,4-6H2,1H3,(H2,11,12,13).
What are the key properties of [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid?
[5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid has a molecular weight of 278.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylthiophen-2-yl)thian-3-yl]phosphonic acid is sourced from PubChem (CID 138723763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).