7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane

Name: 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₇N₄O₃PS — CID 23072308

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane

SMILESOP(O)(O)=S.c1ncc2[nH]cnc2n1

InChIInChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5)

InChIKeyJBCNZZKORZNYML-UHFFFAOYSA-N

MW234.18 g/mol

LogP-0.46

Rot. Bonds

About 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane

7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 23072308) has the molecular formula C₅H₇N₄O₃PS and a molecular weight of 234.18 g/mol. Its IUPAC name is 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Name	7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID	23072308
Molecular Formula	C₅H₇N₄O₃PS
Molecular Weight	234.18 g/mol
Exact Mass	234.00
IUPAC Name	7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
SMILES	OP(O)(O)=S.c1ncc2[nH]cnc2n1
InChI	InChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5)
InChIKey	JBCNZZKORZNYML-UHFFFAOYSA-N
XLogP	-0.46
TPSA	115.15 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.18
LogP ≤ 5	-0.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?

The IUPAC name of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane (CID 23072308) is 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane.

What is the SMILES notation for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?

The canonical SMILES for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane is OP(O)(O)=S.c1ncc2[nH]cnc2n1.

What is the InChIKey of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?

The InChIKey is JBCNZZKORZNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5).

What are the key properties of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?

7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 234.18 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 23072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 23072308 — identifiers, structure, computed properties (public domain)

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