butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane

C4H9Cl2PS2 — CID 13229575

IUPACbutylsulfanyl-dichloro-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(Cl)Cl
InChIInChI=1S/C4H9Cl2PS2/c1-2-3-4-9-7(5,6)8/h2-4H2,1H3
InChIKeyODTQZMHKOTZREO-UHFFFAOYSA-N
MW223.13 g/mol
LogP4.22
Rot. Bonds4

About butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane

butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane (PubChem CID 13229575) has the molecular formula C4H9Cl2PS2 and a molecular weight of 223.13 g/mol. Its IUPAC name is butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-dichloro-sulfanylidene-λ5-phosphane
PubChem CID13229575
Molecular FormulaC4H9Cl2PS2
Molecular Weight223.13 g/mol
Exact Mass221.93
IUPAC Namebutylsulfanyl-dichloro-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(Cl)Cl
InChIInChI=1S/C4H9Cl2PS2/c1-2-3-4-9-7(5,6)8/h2-4H2,1H3
InChIKeyODTQZMHKOTZREO-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane?
The IUPAC name of butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane (CID 13229575) is butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane?
The canonical SMILES for butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane is CCCCSP(=S)(Cl)Cl.
What is the InChIKey of butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane?
The InChIKey is ODTQZMHKOTZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2PS2/c1-2-3-4-9-7(5,6)8/h2-4H2,1H3.
What are the key properties of butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane?
butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane has a molecular weight of 223.13 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-dichloro-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 13229575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).