O-phosphono methanethioate

CH3O4PS — CID 141218464

IUPACO-phosphono methanethioate
SMILESO=P(O)(O)OC=S
InChIInChI=1S/CH3O4PS/c2-6(3,4)5-1-7/h1H,(H2,2,3,4)
InChIKeyQSEPWDXYTRLWET-UHFFFAOYSA-N
MW142.07 g/mol
LogP0.05
Rot. Bonds2

About O-phosphono methanethioate

O-phosphono methanethioate (PubChem CID 141218464) has the molecular formula CH3O4PS and a molecular weight of 142.07 g/mol. Its IUPAC name is O-phosphono methanethioate.

Molecular Properties

Compound NameO-phosphono methanethioate
PubChem CID141218464
Molecular FormulaCH3O4PS
Molecular Weight142.07 g/mol
Exact Mass141.95
IUPAC NameO-phosphono methanethioate
SMILESO=P(O)(O)OC=S
InChIInChI=1S/CH3O4PS/c2-6(3,4)5-1-7/h1H,(H2,2,3,4)
InChIKeyQSEPWDXYTRLWET-UHFFFAOYSA-N
XLogP0.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethenesulfonic acid;ethenyl dihydrogen phosphate
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phosphono dihydrogen phosphate;silver
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hydroxy dihydrogen phosphate;vanadium
CID 173088443
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
dialuminum;phosphono dihydrogen phosphate
CID 175801807
(1-fluoro-4-phosphonooxybuta-1,3-dienyl)phosphonic acid
CID 175435755
O-phosphono ethanethioate
CID 155074786
[(3R,4S)-3,4,5-trihydroxy-2-oxo-6-sulfanylidenehexyl] dihydrogen phosphate
CID 87930759
[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837
tetrasodium;hydride;phosphonooxy dihydrogen phosphate
CID 173345146

Frequently Asked Questions

What is the IUPAC name of O-phosphono methanethioate?
The IUPAC name of O-phosphono methanethioate (CID 141218464) is O-phosphono methanethioate.
What is the SMILES notation for O-phosphono methanethioate?
The canonical SMILES for O-phosphono methanethioate is O=P(O)(O)OC=S.
What is the InChIKey of O-phosphono methanethioate?
The InChIKey is QSEPWDXYTRLWET-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O4PS/c2-6(3,4)5-1-7/h1H,(H2,2,3,4).
What are the key properties of O-phosphono methanethioate?
O-phosphono methanethioate has a molecular weight of 142.07 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-phosphono methanethioate is sourced from PubChem (CID 141218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).