2-butan-2-ylsulfanylethyl(chloro)phosphane

C6H14ClPS — CID 174264875

IUPAC2-butan-2-ylsulfanylethyl(chloro)phosphane
SMILESCCC(C)SCCPCl
InChIInChI=1S/C6H14ClPS/c1-3-6(2)9-5-4-8-7/h6,8H,3-5H2,1-2H3
InChIKeyZEFCVEPAAZFBLV-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.35
Rot. Bonds5

About 2-butan-2-ylsulfanylethyl(chloro)phosphane

2-butan-2-ylsulfanylethyl(chloro)phosphane (PubChem CID 174264875) has the molecular formula C6H14ClPS and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylethyl(chloro)phosphane.

Molecular Properties

Compound Name2-butan-2-ylsulfanylethyl(chloro)phosphane
PubChem CID174264875
Molecular FormulaC6H14ClPS
Molecular Weight184.67 g/mol
Exact Mass184.02
IUPAC Name2-butan-2-ylsulfanylethyl(chloro)phosphane
SMILESCCC(C)SCCPCl
InChIInChI=1S/C6H14ClPS/c1-3-6(2)9-5-4-8-7/h6,8H,3-5H2,1-2H3
InChIKeyZEFCVEPAAZFBLV-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylethyl(chloro)phosphane?
The IUPAC name of 2-butan-2-ylsulfanylethyl(chloro)phosphane (CID 174264875) is 2-butan-2-ylsulfanylethyl(chloro)phosphane.
What is the SMILES notation for 2-butan-2-ylsulfanylethyl(chloro)phosphane?
The canonical SMILES for 2-butan-2-ylsulfanylethyl(chloro)phosphane is CCC(C)SCCPCl.
What is the InChIKey of 2-butan-2-ylsulfanylethyl(chloro)phosphane?
The InChIKey is ZEFCVEPAAZFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS/c1-3-6(2)9-5-4-8-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylethyl(chloro)phosphane?
2-butan-2-ylsulfanylethyl(chloro)phosphane has a molecular weight of 184.67 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylethyl(chloro)phosphane is sourced from PubChem (CID 174264875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).