3-phosphanylidenepropane-1-thiol

C3H7PS — CID 167226781

IUPAC3-phosphanylidenepropane-1-thiol
SMILES[H]/P=C/CCS
InChIInChI=1S/C3H7PS/c4-2-1-3-5/h2,4-5H,1,3H2
InChIKeyZZILWNKXXJOKDV-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.25
Rot. Bonds2

About 3-phosphanylidenepropane-1-thiol

3-phosphanylidenepropane-1-thiol (PubChem CID 167226781) has the molecular formula C3H7PS and a molecular weight of 106.13 g/mol. Its IUPAC name is 3-phosphanylidenepropane-1-thiol.

Molecular Properties

Compound Name3-phosphanylidenepropane-1-thiol
PubChem CID167226781
Molecular FormulaC3H7PS
Molecular Weight106.13 g/mol
Exact Mass106.00
IUPAC Name3-phosphanylidenepropane-1-thiol
SMILES[H]/P=C/CCS
InChIInChI=1S/C3H7PS/c4-2-1-3-5/h2,4-5H,1,3H2
InChIKeyZZILWNKXXJOKDV-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-phosphanylidenepropane-1-thiol?
The IUPAC name of 3-phosphanylidenepropane-1-thiol (CID 167226781) is 3-phosphanylidenepropane-1-thiol.
What is the SMILES notation for 3-phosphanylidenepropane-1-thiol?
The canonical SMILES for 3-phosphanylidenepropane-1-thiol is [H]/P=C/CCS.
What is the InChIKey of 3-phosphanylidenepropane-1-thiol?
The InChIKey is ZZILWNKXXJOKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7PS/c4-2-1-3-5/h2,4-5H,1,3H2.
What are the key properties of 3-phosphanylidenepropane-1-thiol?
3-phosphanylidenepropane-1-thiol has a molecular weight of 106.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylidenepropane-1-thiol is sourced from PubChem (CID 167226781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).