2-thiophosphorosopentane

C5H11PS — CID 88580916

IUPAC2-thiophosphorosopentane
SMILESCCCC(C)P=S
InChIInChI=1S/C5H11PS/c1-3-4-5(2)6-7/h5H,3-4H2,1-2H3
InChIKeyVIGDEHKLTYJHLG-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.58
Rot. Bonds3

About 2-thiophosphorosopentane

2-thiophosphorosopentane (PubChem CID 88580916) has the molecular formula C5H11PS and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-thiophosphorosopentane.

Molecular Properties

Compound Name2-thiophosphorosopentane
PubChem CID88580916
Molecular FormulaC5H11PS
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name2-thiophosphorosopentane
SMILESCCCC(C)P=S
InChIInChI=1S/C5H11PS/c1-3-4-5(2)6-7/h5H,3-4H2,1-2H3
InChIKeyVIGDEHKLTYJHLG-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.58
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 2-thiophosphorosopentane?
The IUPAC name of 2-thiophosphorosopentane (CID 88580916) is 2-thiophosphorosopentane.
What is the SMILES notation for 2-thiophosphorosopentane?
The canonical SMILES for 2-thiophosphorosopentane is CCCC(C)P=S.
What is the InChIKey of 2-thiophosphorosopentane?
The InChIKey is VIGDEHKLTYJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11PS/c1-3-4-5(2)6-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-thiophosphorosopentane?
2-thiophosphorosopentane has a molecular weight of 134.18 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophosphorosopentane is sourced from PubChem (CID 88580916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).