thiophosphorosomethane

CH3PS — CID 22137003

IUPACthiophosphorosomethane
SMILESCP=S
InChIInChI=1S/CH3PS/c1-2-3/h1H3
InChIKeyHNBGSGLSXZGNQK-UHFFFAOYSA-N
MW78.08 g/mol
LogP1.02
Rot. Bonds

About thiophosphorosomethane

thiophosphorosomethane (PubChem CID 22137003) has the molecular formula CH3PS and a molecular weight of 78.08 g/mol. Its IUPAC name is thiophosphorosomethane.

Molecular Properties

Compound Namethiophosphorosomethane
PubChem CID22137003
Molecular FormulaCH3PS
Molecular Weight78.08 g/mol
Exact Mass77.97
IUPAC Namethiophosphorosomethane
SMILESCP=S
InChIInChI=1S/CH3PS/c1-2-3/h1H3
InChIKeyHNBGSGLSXZGNQK-UHFFFAOYSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.08
LogP ≤ 51.02
H-Bond Donors ≤ 50
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 thiophosphorosomethane?
The IUPAC name of thiophosphorosomethane (CID 22137003) is thiophosphorosomethane.
What is the SMILES notation for thiophosphorosomethane?
The canonical SMILES for thiophosphorosomethane is CP=S.
What is the InChIKey of thiophosphorosomethane?
The InChIKey is HNBGSGLSXZGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3PS/c1-2-3/h1H3.
What are the key properties of thiophosphorosomethane?
thiophosphorosomethane has a molecular weight of 78.08 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiophosphorosomethane is sourced from PubChem (CID 22137003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).