nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C15H30O6P2S2 — CID 87186209

IUPACnonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCCCCCc1ccccc1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C15H24.2H3O3PS/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;2*1-4(2,3)5/h8,10-11,13-14H,2-7,9,12H2,1H3;2*(H3,1,2,3,5)
InChIKeyNVBSRQXTUHGAHO-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.36
Rot. Bonds8

About nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 87186209) has the molecular formula C15H30O6P2S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namenonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID87186209
Molecular FormulaC15H30O6P2S2
Molecular Weight432.48 g/mol
Exact Mass432.10
IUPAC Namenonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCCCCCc1ccccc1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C15H24.2H3O3PS/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;2*1-4(2,3)5/h8,10-11,13-14H,2-7,9,12H2,1H3;2*(H3,1,2,3,5)
InChIKeyNVBSRQXTUHGAHO-UHFFFAOYSA-N
XLogP3.36
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 53.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonylbenzene;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173454942
docosylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 175022672
dodecylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173455450
hexylbenzene;hydrogen peroxide
CID 90001206
octaoctacontylbenzene
CID 165359374
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489

Frequently Asked Questions

What is the IUPAC name of nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 87186209) is nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CCCCCCCCCc1ccccc1.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is NVBSRQXTUHGAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.2H3O3PS/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;2*1-4(2,3)5/h8,10-11,13-14H,2-7,9,12H2,1H3;2*(H3,1,2,3,5).
What are the key properties of nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 432.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 87186209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).