1,4-bis(diaminophosphinothioyloxy)benzene

C6H12N4O2P2S2 — CID 54536312

IUPAC1,4-bis(diaminophosphinothioyloxy)benzene
SMILESNP(N)(=S)Oc1ccc(OP(N)(N)=S)cc1
InChIInChI=1S/C6H12N4O2P2S2/c7-13(8,15)11-5-1-2-6(4-3-5)12-14(9,10)16/h1-4H,(H4,7,8,15)(H4,9,10,16)
InChIKeyZAAHNOBYCNMBSA-UHFFFAOYSA-N
MW298.27 g/mol
LogP0.73
Rot. Bonds4

About 1,4-bis(diaminophosphinothioyloxy)benzene

1,4-bis(diaminophosphinothioyloxy)benzene (PubChem CID 54536312) has the molecular formula C6H12N4O2P2S2 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1,4-bis(diaminophosphinothioyloxy)benzene.

Molecular Properties

Compound Name1,4-bis(diaminophosphinothioyloxy)benzene
PubChem CID54536312
Molecular FormulaC6H12N4O2P2S2
Molecular Weight298.27 g/mol
Exact Mass297.99
IUPAC Name1,4-bis(diaminophosphinothioyloxy)benzene
SMILESNP(N)(=S)Oc1ccc(OP(N)(N)=S)cc1
InChIInChI=1S/C6H12N4O2P2S2/c7-13(8,15)11-5-1-2-6(4-3-5)12-14(9,10)16/h1-4H,(H4,7,8,15)(H4,9,10,16)
InChIKeyZAAHNOBYCNMBSA-UHFFFAOYSA-N
XLogP0.73
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.73
H-Bond Donors ≤ 54
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 1,4-bis(diaminophosphinothioyloxy)benzene?
The IUPAC name of 1,4-bis(diaminophosphinothioyloxy)benzene (CID 54536312) is 1,4-bis(diaminophosphinothioyloxy)benzene.
What is the SMILES notation for 1,4-bis(diaminophosphinothioyloxy)benzene?
The canonical SMILES for 1,4-bis(diaminophosphinothioyloxy)benzene is NP(N)(=S)Oc1ccc(OP(N)(N)=S)cc1.
What is the InChIKey of 1,4-bis(diaminophosphinothioyloxy)benzene?
The InChIKey is ZAAHNOBYCNMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2P2S2/c7-13(8,15)11-5-1-2-6(4-3-5)12-14(9,10)16/h1-4H,(H4,7,8,15)(H4,9,10,16).
What are the key properties of 1,4-bis(diaminophosphinothioyloxy)benzene?
1,4-bis(diaminophosphinothioyloxy)benzene has a molecular weight of 298.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diaminophosphinothioyloxy)benzene is sourced from PubChem (CID 54536312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).