methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid

C3H7O3PS2 — CID 10198191

IUPACmethylsulfanyl(methylsulfanylcarbonyl)phosphinic acid
SMILESCSC(=O)P(=O)(O)SC
InChIInChI=1S/C3H7O3PS2/c1-8-3(4)7(5,6)9-2/h1-2H3,(H,5,6)
InChIKeyPNQRGSBXMPPUHA-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.02
Rot. Bonds2

About methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid

methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid (PubChem CID 10198191) has the molecular formula C3H7O3PS2 and a molecular weight of 186.19 g/mol. Its IUPAC name is methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid.

Molecular Properties

Compound Namemethylsulfanyl(methylsulfanylcarbonyl)phosphinic acid
PubChem CID10198191
Molecular FormulaC3H7O3PS2
Molecular Weight186.19 g/mol
Exact Mass185.96
IUPAC Namemethylsulfanyl(methylsulfanylcarbonyl)phosphinic acid
SMILESCSC(=O)P(=O)(O)SC
InChIInChI=1S/C3H7O3PS2/c1-8-3(4)7(5,6)9-2/h1-2H3,(H,5,6)
InChIKeyPNQRGSBXMPPUHA-UHFFFAOYSA-N
XLogP2.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid?
The IUPAC name of methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid (CID 10198191) is methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid.
What is the SMILES notation for methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid?
The canonical SMILES for methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid is CSC(=O)P(=O)(O)SC.
What is the InChIKey of methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid?
The InChIKey is PNQRGSBXMPPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3PS2/c1-8-3(4)7(5,6)9-2/h1-2H3,(H,5,6).
What are the key properties of methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid?
methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid has a molecular weight of 186.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(methylsulfanylcarbonyl)phosphinic acid is sourced from PubChem (CID 10198191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).