tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane

C6H14ClPS2 — CID 12874142

IUPACtert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(Cl)SC(C)(C)C
InChIInChI=1S/C6H14ClPS2/c1-5-8(7,9)10-6(2,3)4/h5H2,1-4H3
InChIKeyNXHZZDJIWARFFO-UHFFFAOYSA-N
MW216.74 g/mol
LogP4.09
Rot. Bonds2

About tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane

tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane (PubChem CID 12874142) has the molecular formula C6H14ClPS2 and a molecular weight of 216.74 g/mol. Its IUPAC name is tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
PubChem CID12874142
Molecular FormulaC6H14ClPS2
Molecular Weight216.74 g/mol
Exact Mass216.00
IUPAC Nametert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(Cl)SC(C)(C)C
InChIInChI=1S/C6H14ClPS2/c1-5-8(7,9)10-6(2,3)4/h5H2,1-4H3
InChIKeyNXHZZDJIWARFFO-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 15055139
bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane
CID 23418001
dichloro-ethylsulfanyl-sulfanylidene-lambda5-phosphane
CID 519205
dihydroxy-(3-methylpentan-3-ylsulfanyl)-sulfanylidene-λ5-phosphane
CID 162261741
butyl-dichloro-selanylidene-λ5-phosphane
CID 23415657
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
dichloro-ethyl-selanylidene-lambda5-phosphane
CID 518992
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 22129496
tert-butyl-[tert-butylsulfanyl(hydroxy)phosphinothioyl]azanide;rubidium(1+)
CID 162452339
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944
butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
CID 57280787

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane (CID 12874142) is tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane is CCP(=S)(Cl)SC(C)(C)C.
What is the InChIKey of tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is NXHZZDJIWARFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClPS2/c1-5-8(7,9)10-6(2,3)4/h5H2,1-4H3.
What are the key properties of tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane?
tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 216.74 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12874142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).