tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane

C5H12ClPS — CID 23415812

IUPACtert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(C)(=S)Cl
InChIInChI=1S/C5H12ClPS/c1-5(2,3)7(4,6)8/h1-4H3
InChIKeyWQJZQVLHPBJQBT-UHFFFAOYSA-N
MW170.65 g/mol
LogP3.05
Rot. Bonds

About tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane

tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane (PubChem CID 23415812) has the molecular formula C5H12ClPS and a molecular weight of 170.65 g/mol. Its IUPAC name is tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane
PubChem CID23415812
Molecular FormulaC5H12ClPS
Molecular Weight170.65 g/mol
Exact Mass170.01
IUPAC Nametert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(C)(=S)Cl
InChIInChI=1S/C5H12ClPS/c1-5(2,3)7(4,6)8/h1-4H3
InChIKeyWQJZQVLHPBJQBT-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.65
LogP ≤ 53.05
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 tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane (CID 23415812) is tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane is CC(C)(C)P(C)(=S)Cl.
What is the InChIKey of tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is WQJZQVLHPBJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClPS/c1-5(2,3)7(4,6)8/h1-4H3.
What are the key properties of tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane?
tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 170.65 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).