4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane

C3H7N2O3PS — CID 174834135

IUPAC4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)ON1C=NCC1
InChIInChI=1S/C3H7N2O3PS/c6-9(7,10)8-5-2-1-4-3-5/h3H,1-2H2,(H2,6,7,10)
InChIKeyHVLDRUVVYUFADC-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.53
Rot. Bonds2

About 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane

4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 174834135) has the molecular formula C3H7N2O3PS and a molecular weight of 182.14 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID174834135
Molecular FormulaC3H7N2O3PS
Molecular Weight182.14 g/mol
Exact Mass181.99
IUPAC Name4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)ON1C=NCC1
InChIInChI=1S/C3H7N2O3PS/c6-9(7,10)8-5-2-1-4-3-5/h3H,1-2H2,(H2,6,7,10)
InChIKeyHVLDRUVVYUFADC-UHFFFAOYSA-N
XLogP-0.53
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 174834135) is 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane is OP(O)(=S)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is HVLDRUVVYUFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O3PS/c6-9(7,10)8-5-2-1-4-3-5/h3H,1-2H2,(H2,6,7,10).
What are the key properties of 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 182.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174834135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).