bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane

C9H13PS3 — CID 141141610

IUPACbis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane
SMILESCc1ccc(SP(S)S)c(C)c1C
InChIInChI=1S/C9H13PS3/c1-6-4-5-9(13-10(11)12)8(3)7(6)2/h4-5,11-12H,1-3H3
InChIKeyUQGAUTJDOJVNJH-UHFFFAOYSA-N
MW248.38 g/mol
LogP4.79
Rot. Bonds2

About bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane

bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane (PubChem CID 141141610) has the molecular formula C9H13PS3 and a molecular weight of 248.38 g/mol. Its IUPAC name is bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane.

Molecular Properties

Compound Namebis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane
PubChem CID141141610
Molecular FormulaC9H13PS3
Molecular Weight248.38 g/mol
Exact Mass247.99
IUPAC Namebis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane
SMILESCc1ccc(SP(S)S)c(C)c1C
InChIInChI=1S/C9H13PS3/c1-6-4-5-9(13-10(11)12)8(3)7(6)2/h4-5,11-12H,1-3H3
InChIKeyUQGAUTJDOJVNJH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane?
The IUPAC name of bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane (CID 141141610) is bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane.
What is the SMILES notation for bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane?
The canonical SMILES for bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane is Cc1ccc(SP(S)S)c(C)c1C.
What is the InChIKey of bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane?
The InChIKey is UQGAUTJDOJVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13PS3/c1-6-4-5-9(13-10(11)12)8(3)7(6)2/h4-5,11-12H,1-3H3.
What are the key properties of bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane?
bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane has a molecular weight of 248.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)-(2,3,4-trimethylphenyl)sulfanylphosphane is sourced from PubChem (CID 141141610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).