decane-1-thiol;hydroxy(oxo)phosphanium

C10H24O2PS+ — CID 173247538

IUPACdecane-1-thiol;hydroxy(oxo)phosphanium
SMILESCCCCCCCCCCS.O=[PH+]O
InChIInChI=1S/C10H22S.HO2P/c1-2-3-4-5-6-7-8-9-10-11;1-3-2/h11H,2-10H2,1H3;3H/p+1
InChIKeyCDXBYFPETPOEFG-UHFFFAOYSA-O
MW239.34 g/mol
LogP3.97
Rot. Bonds8

About decane-1-thiol;hydroxy(oxo)phosphanium

decane-1-thiol;hydroxy(oxo)phosphanium (PubChem CID 173247538) has the molecular formula C10H24O2PS+ and a molecular weight of 239.34 g/mol. Its IUPAC name is decane-1-thiol;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Namedecane-1-thiol;hydroxy(oxo)phosphanium
PubChem CID173247538
Molecular FormulaC10H24O2PS+
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Namedecane-1-thiol;hydroxy(oxo)phosphanium
SMILESCCCCCCCCCCS.O=[PH+]O
InChIInChI=1S/C10H22S.HO2P/c1-2-3-4-5-6-7-8-9-10-11;1-3-2/h11H,2-10H2,1H3;3H/p+1
InChIKeyCDXBYFPETPOEFG-UHFFFAOYSA-O
XLogP3.97
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 decane-1-thiol;hydroxy(oxo)phosphanium?
The IUPAC name of decane-1-thiol;hydroxy(oxo)phosphanium (CID 173247538) is decane-1-thiol;hydroxy(oxo)phosphanium.
What is the SMILES notation for decane-1-thiol;hydroxy(oxo)phosphanium?
The canonical SMILES for decane-1-thiol;hydroxy(oxo)phosphanium is CCCCCCCCCCS.O=[PH+]O.
What is the InChIKey of decane-1-thiol;hydroxy(oxo)phosphanium?
The InChIKey is CDXBYFPETPOEFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22S.HO2P/c1-2-3-4-5-6-7-8-9-10-11;1-3-2/h11H,2-10H2,1H3;3H/p+1.
What are the key properties of decane-1-thiol;hydroxy(oxo)phosphanium?
decane-1-thiol;hydroxy(oxo)phosphanium has a molecular weight of 239.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1-thiol;hydroxy(oxo)phosphanium is sourced from PubChem (CID 173247538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).