[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane

C12H20O5P2S2 — CID 139679134

IUPAC[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=O)(OC)C(c1ccc(SC)cc1)P(=S)(OC)OC
InChIInChI=1S/C12H20O5P2S2/c1-14-18(13,15-2)12(19(20,16-3)17-4)10-6-8-11(21-5)9-7-10/h6-9,12H,1-5H3
InChIKeyNZYHCNCZUCPRAI-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.50
Rot. Bonds8

About [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane

[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 139679134) has the molecular formula C12H20O5P2S2 and a molecular weight of 370.37 g/mol. Its IUPAC name is [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID139679134
Molecular FormulaC12H20O5P2S2
Molecular Weight370.37 g/mol
Exact Mass370.02
IUPAC Name[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=O)(OC)C(c1ccc(SC)cc1)P(=S)(OC)OC
InChIInChI=1S/C12H20O5P2S2/c1-14-18(13,15-2)12(19(20,16-3)17-4)10-6-8-11(21-5)9-7-10/h6-9,12H,1-5H3
InChIKeyNZYHCNCZUCPRAI-UHFFFAOYSA-N
XLogP4.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (4-methylsulfanylphenyl) phosphate
CID 18621
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
1-methoxy-4-[[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methoxy]-(4-methylsulfanylphenyl)methyl]benzene
CID 71570344
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612
1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 116961519
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
2-amino-2-(4-methylsulfanylphenyl)acetaldehyde
CID 116939067
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methylaniline
CID 21210765
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane (CID 139679134) is [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane is COP(=O)(OC)C(c1ccc(SC)cc1)P(=S)(OC)OC.
What is the InChIKey of [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is NZYHCNCZUCPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5P2S2/c1-14-18(13,15-2)12(19(20,16-3)17-4)10-6-8-11(21-5)9-7-10/h6-9,12H,1-5H3.
What are the key properties of [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane?
[dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 370.37 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139679134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).