cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane

C5H11PS3 — CID 88623830

IUPACcyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(S)SCC1CC1
InChIInChI=1S/C5H11PS3/c1-6(7,8)9-4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXZOPNBIYQRCZDB-UHFFFAOYSA-N
MW198.32 g/mol
LogP3.00
Rot. Bonds3

About cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane

cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 88623830) has the molecular formula C5H11PS3 and a molecular weight of 198.32 g/mol. Its IUPAC name is cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID88623830
Molecular FormulaC5H11PS3
Molecular Weight198.32 g/mol
Exact Mass197.98
IUPAC Namecyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(S)SCC1CC1
InChIInChI=1S/C5H11PS3/c1-6(7,8)9-4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXZOPNBIYQRCZDB-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane (CID 88623830) is cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane is CP(=S)(S)SCC1CC1.
What is the InChIKey of cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is XZOPNBIYQRCZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11PS3/c1-6(7,8)9-4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane?
cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 198.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylsulfanyl-methyl-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88623830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).