3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane

C6H15O2PS2 — CID 152608450

IUPAC3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)CCSP(O)(O)=S
InChIInChI=1S/C6H15O2PS2/c1-6(2,3)4-5-11-9(7,8)10/h4-5H2,1-3H3,(H2,7,8,10)
InChIKeyYYZVFIOGJFANDR-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.36
Rot. Bonds3

About 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane

3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 152608450) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID152608450
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Name3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)CCSP(O)(O)=S
InChIInChI=1S/C6H15O2PS2/c1-6(2,3)4-5-11-9(7,8)10/h4-5H2,1-3H3,(H2,7,8,10)
InChIKeyYYZVFIOGJFANDR-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane (CID 152608450) is 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane is CC(C)(C)CCSP(O)(O)=S.
What is the InChIKey of 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is YYZVFIOGJFANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-6(2,3)4-5-11-9(7,8)10/h4-5H2,1-3H3,(H2,7,8,10).
What are the key properties of 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane?
3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 152608450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).