dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol

C7H11O3PS2 — CID 175033393

IUPACdihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol
SMILESCc1ccccc1O.OP(O)(=S)S
InChIInChI=1S/C7H8O.H3O2PS2/c1-6-4-2-3-5-7(6)8;1-3(2,4)5/h2-5,8H,1H3;(H3,1,2,4,5)
InChIKeyYZXDWCKOQBNVGW-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.83
Rot. Bonds

About dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol

dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol (PubChem CID 175033393) has the molecular formula C7H11O3PS2 and a molecular weight of 238.27 g/mol. Its IUPAC name is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol.

Molecular Properties

Compound Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol
PubChem CID175033393
Molecular FormulaC7H11O3PS2
Molecular Weight238.27 g/mol
Exact Mass237.99
IUPAC Namedihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol
SMILESCc1ccccc1O.OP(O)(=S)S
InChIInChI=1S/C7H8O.H3O2PS2/c1-6-4-2-3-5-7(6)8;1-3(2,4)5/h2-5,8H,1H3;(H3,1,2,4,5)
InChIKeyYZXDWCKOQBNVGW-UHFFFAOYSA-N
XLogP1.83
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.83
H-Bond Donors ≤ 54
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 dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol?
The IUPAC name of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol (CID 175033393) is dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol.
What is the SMILES notation for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol?
The canonical SMILES for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol is Cc1ccccc1O.OP(O)(=S)S.
What is the InChIKey of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol?
The InChIKey is YZXDWCKOQBNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.H3O2PS2/c1-6-4-2-3-5-7(6)8;1-3(2,4)5/h2-5,8H,1H3;(H3,1,2,4,5).
What are the key properties of dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol?
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol has a molecular weight of 238.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylphenol is sourced from PubChem (CID 175033393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).