3-methyl-1-phosphanylsulfanylbut-3-en-2-ol

C5H11OPS — CID 126625066

IUPAC3-methyl-1-phosphanylsulfanylbut-3-en-2-ol
SMILESC=C(C)C(O)CSP
InChIInChI=1S/C5H11OPS/c1-4(2)5(6)3-8-7/h5-6H,1,3,7H2,2H3
InChIKeyCKAZUEQTEMSNOE-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol

3-methyl-1-phosphanylsulfanylbut-3-en-2-ol (PubChem CID 126625066) has the molecular formula C5H11OPS and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-1-phosphanylsulfanylbut-3-en-2-ol
PubChem CID126625066
Molecular FormulaC5H11OPS
Molecular Weight150.18 g/mol
Exact Mass150.03
IUPAC Name3-methyl-1-phosphanylsulfanylbut-3-en-2-ol
SMILESC=C(C)C(O)CSP
InChIInChI=1S/C5H11OPS/c1-4(2)5(6)3-8-7/h5-6H,1,3,7H2,2H3
InChIKeyCKAZUEQTEMSNOE-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol?
The IUPAC name of 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol (CID 126625066) is 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol.
What is the SMILES notation for 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol?
The canonical SMILES for 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol is C=C(C)C(O)CSP.
What is the InChIKey of 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol?
The InChIKey is CKAZUEQTEMSNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OPS/c1-4(2)5(6)3-8-7/h5-6H,1,3,7H2,2H3.
What are the key properties of 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol?
3-methyl-1-phosphanylsulfanylbut-3-en-2-ol has a molecular weight of 150.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phosphanylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 126625066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).