(trimethyl-λ4-sulfanyl)phosphonic acid

C3H11O3PS — CID 57019649

IUPAC(trimethyl-λ4-sulfanyl)phosphonic acid
SMILESCS(C)(C)P(=O)(O)O
InChIInChI=1S/C3H11O3PS/c1-8(2,3)7(4,5)6/h1-3H3,(H2,4,5,6)
InChIKeyLXJIDLFTYIGEAV-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.77
Rot. Bonds1

About (trimethyl-λ4-sulfanyl)phosphonic acid

(trimethyl-λ4-sulfanyl)phosphonic acid (PubChem CID 57019649) has the molecular formula C3H11O3PS and a molecular weight of 158.16 g/mol. Its IUPAC name is (trimethyl-λ4-sulfanyl)phosphonic acid.

Molecular Properties

Compound Name(trimethyl-λ4-sulfanyl)phosphonic acid
PubChem CID57019649
Molecular FormulaC3H11O3PS
Molecular Weight158.16 g/mol
Exact Mass158.02
IUPAC Name(trimethyl-λ4-sulfanyl)phosphonic acid
SMILESCS(C)(C)P(=O)(O)O
InChIInChI=1S/C3H11O3PS/c1-8(2,3)7(4,5)6/h1-3H3,(H2,4,5,6)
InChIKeyLXJIDLFTYIGEAV-UHFFFAOYSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (trimethyl-λ4-sulfanyl)phosphonic acid?
The IUPAC name of (trimethyl-λ4-sulfanyl)phosphonic acid (CID 57019649) is (trimethyl-λ4-sulfanyl)phosphonic acid.
What is the SMILES notation for (trimethyl-λ4-sulfanyl)phosphonic acid?
The canonical SMILES for (trimethyl-λ4-sulfanyl)phosphonic acid is CS(C)(C)P(=O)(O)O.
What is the InChIKey of (trimethyl-λ4-sulfanyl)phosphonic acid?
The InChIKey is LXJIDLFTYIGEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11O3PS/c1-8(2,3)7(4,5)6/h1-3H3,(H2,4,5,6).
What are the key properties of (trimethyl-λ4-sulfanyl)phosphonic acid?
(trimethyl-λ4-sulfanyl)phosphonic acid has a molecular weight of 158.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethyl-λ4-sulfanyl)phosphonic acid is sourced from PubChem (CID 57019649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).