3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol

C14H15O4PS2 — CID 164684283

IUPAC3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol
SMILESCOP(=S)(OC)Oc1cccc(Sc2cccc(O)c2)c1
InChIInChI=1S/C14H15O4PS2/c1-16-19(20,17-2)18-12-6-4-8-14(10-12)21-13-7-3-5-11(15)9-13/h3-10,15H,1-2H3
InChIKeyZBGBYWWRJVOFJT-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.44
Rot. Bonds6

About 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol

3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol (PubChem CID 164684283) has the molecular formula C14H15O4PS2 and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol
PubChem CID164684283
Molecular FormulaC14H15O4PS2
Molecular Weight342.38 g/mol
Exact Mass342.01
IUPAC Name3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol
SMILESCOP(=S)(OC)Oc1cccc(Sc2cccc(O)c2)c1
InChIInChI=1S/C14H15O4PS2/c1-16-19(20,17-2)18-12-6-4-8-14(10-12)21-13-7-3-5-11(15)9-13/h3-10,15H,1-2H3
InChIKeyZBGBYWWRJVOFJT-UHFFFAOYSA-N
XLogP4.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)sulfanylphenol
CID 20780501
3-methoxy-2-(3-phenylsulfanylphenoxy)prop-2-enoic acid
CID 67855467
bis(3-methylsulfanylphenol);zirconium
CID 174409712
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 22602097
3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol
CID 104590976
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967
methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
CID 170707186
3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
CID 104591016
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
(3-phenylsulfanylphenyl) phosphanylformate
CID 20789561

Frequently Asked Questions

What is the IUPAC name of 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol?
The IUPAC name of 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol (CID 164684283) is 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol?
The canonical SMILES for 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol is COP(=S)(OC)Oc1cccc(Sc2cccc(O)c2)c1.
What is the InChIKey of 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol?
The InChIKey is ZBGBYWWRJVOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4PS2/c1-16-19(20,17-2)18-12-6-4-8-14(10-12)21-13-7-3-5-11(15)9-13/h3-10,15H,1-2H3.
What are the key properties of 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol?
3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol has a molecular weight of 342.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol is sourced from PubChem (CID 164684283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).