[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane

C16H20O2P2S2 — CID 88814716

IUPAC[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)Oc1ccc(-c2ccc(OP(C)(C)=S)cc2)cc1
InChIInChI=1S/C16H20O2P2S2/c1-19(2,21)17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-20(3,4)22/h5-12H,1-4H3
InChIKeyPZOPWDGUQBCPRT-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.42
Rot. Bonds5

About [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane

[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 88814716) has the molecular formula C16H20O2P2S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID88814716
Molecular FormulaC16H20O2P2S2
Molecular Weight370.42 g/mol
Exact Mass370.04
IUPAC Name[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)Oc1ccc(-c2ccc(OP(C)(C)=S)cc2)cc1
InChIInChI=1S/C16H20O2P2S2/c1-19(2,21)17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-20(3,4)22/h5-12H,1-4H3
InChIKeyPZOPWDGUQBCPRT-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
zinc bis(bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 18762380
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
1,4-bis(diaminophosphinothioyloxy)benzene
CID 54536312
bis(4-methylphenoxy)phosphinothioylsulfanylthallium
CID 609596
hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174646420
methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane
CID 58890302
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
1-methyl-4-[(4-methylphenoxy)-prop-2-enylphosphoryl]oxybenzene
CID 87155254
chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980274
neodymium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
CID 11980278

Frequently Asked Questions

What is the IUPAC name of [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane (CID 88814716) is [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane is CP(C)(=S)Oc1ccc(-c2ccc(OP(C)(C)=S)cc2)cc1.
What is the InChIKey of [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is PZOPWDGUQBCPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2P2S2/c1-19(2,21)17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-20(3,4)22/h5-12H,1-4H3.
What are the key properties of [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane?
[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 370.42 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88814716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).