1-methylphosphindole-2,3-dithiol

C9H9PS2 — CID 139125832

IUPAC1-methylphosphindole-2,3-dithiol
SMILESCp1c(S)c(S)c2ccccc21
InChIInChI=1S/C9H9PS2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,11-12H,1H3
InChIKeyNEUYWAHSXHLRIH-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.94
Rot. Bonds

About 1-methylphosphindole-2,3-dithiol

1-methylphosphindole-2,3-dithiol (PubChem CID 139125832) has the molecular formula C9H9PS2 and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-methylphosphindole-2,3-dithiol.

Molecular Properties

Compound Name1-methylphosphindole-2,3-dithiol
PubChem CID139125832
Molecular FormulaC9H9PS2
Molecular Weight212.28 g/mol
Exact Mass211.99
IUPAC Name1-methylphosphindole-2,3-dithiol
SMILESCp1c(S)c(S)c2ccccc21
InChIInChI=1S/C9H9PS2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,11-12H,1H3
InChIKeyNEUYWAHSXHLRIH-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylphosphindole-2,3-dithiol?
The IUPAC name of 1-methylphosphindole-2,3-dithiol (CID 139125832) is 1-methylphosphindole-2,3-dithiol.
What is the SMILES notation for 1-methylphosphindole-2,3-dithiol?
The canonical SMILES for 1-methylphosphindole-2,3-dithiol is Cp1c(S)c(S)c2ccccc21.
What is the InChIKey of 1-methylphosphindole-2,3-dithiol?
The InChIKey is NEUYWAHSXHLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9PS2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,11-12H,1H3.
What are the key properties of 1-methylphosphindole-2,3-dithiol?
1-methylphosphindole-2,3-dithiol has a molecular weight of 212.28 g/mol, XLogP of 3.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphosphindole-2,3-dithiol is sourced from PubChem (CID 139125832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).