[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane

C6H13PS — CID 21042305

IUPAC[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESC/C=C(\C)P(C)(C)=S
InChIInChI=1S/C6H13PS/c1-5-6(2)7(3,4)8/h5H,1-4H3/b6-5+
InChIKeyOSXZXYGJEBVSRP-AATRIKPKSA-N
MW148.21 g/mol
LogP2.65
Rot. Bonds1

About [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane

[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 21042305) has the molecular formula C6H13PS and a molecular weight of 148.21 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID21042305
Molecular FormulaC6H13PS
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
SMILESC/C=C(\C)P(C)(C)=S
InChIInChI=1S/C6H13PS/c1-5-6(2)7(3,4)8/h5H,1-4H3/b6-5+
InChIKeyOSXZXYGJEBVSRP-AATRIKPKSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.65
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 [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane (CID 21042305) is [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane is C/C=C(\C)P(C)(C)=S.
What is the InChIKey of [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is OSXZXYGJEBVSRP-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13PS/c1-5-6(2)7(3,4)8/h5H,1-4H3/b6-5+.
What are the key properties of [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane?
[(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 148.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21042305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).