dioxido(oxo)phosphanium;prop-2-ene-1-thiol

C3H6O3PS- — CID 23361438

IUPACdioxido(oxo)phosphanium;prop-2-ene-1-thiol
SMILESC=CCS.O=[P+]([O-])[O-]
InChIInChI=1S/C3H6S.HO3P/c1-2-3-4;1-4(2)3/h2,4H,1,3H2;(H,1,2,3)/p-1
InChIKeySUSOTZTUZYSTFT-UHFFFAOYSA-M
MW153.12 g/mol
LogP-0.53
Rot. Bonds1

About dioxido(oxo)phosphanium;prop-2-ene-1-thiol

dioxido(oxo)phosphanium;prop-2-ene-1-thiol (PubChem CID 23361438) has the molecular formula C3H6O3PS- and a molecular weight of 153.12 g/mol. Its IUPAC name is dioxido(oxo)phosphanium;prop-2-ene-1-thiol.

Molecular Properties

Compound Namedioxido(oxo)phosphanium;prop-2-ene-1-thiol
PubChem CID23361438
Molecular FormulaC3H6O3PS-
Molecular Weight153.12 g/mol
Exact Mass152.98
IUPAC Namedioxido(oxo)phosphanium;prop-2-ene-1-thiol
SMILESC=CCS.O=[P+]([O-])[O-]
InChIInChI=1S/C3H6S.HO3P/c1-2-3-4;1-4(2)3/h2,4H,1,3H2;(H,1,2,3)/p-1
InChIKeySUSOTZTUZYSTFT-UHFFFAOYSA-M
XLogP-0.53
TPSA63.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)phosphanium;prop-2-ene-1-thiol?
The IUPAC name of dioxido(oxo)phosphanium;prop-2-ene-1-thiol (CID 23361438) is dioxido(oxo)phosphanium;prop-2-ene-1-thiol.
What is the SMILES notation for dioxido(oxo)phosphanium;prop-2-ene-1-thiol?
The canonical SMILES for dioxido(oxo)phosphanium;prop-2-ene-1-thiol is C=CCS.O=[P+]([O-])[O-].
What is the InChIKey of dioxido(oxo)phosphanium;prop-2-ene-1-thiol?
The InChIKey is SUSOTZTUZYSTFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6S.HO3P/c1-2-3-4;1-4(2)3/h2,4H,1,3H2;(H,1,2,3)/p-1.
What are the key properties of dioxido(oxo)phosphanium;prop-2-ene-1-thiol?
dioxido(oxo)phosphanium;prop-2-ene-1-thiol has a molecular weight of 153.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)phosphanium;prop-2-ene-1-thiol is sourced from PubChem (CID 23361438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).