[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde

C10H11O3PS2 — CID 20789980

IUPAC[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde
SMILESCSc1ccc(OP(=S)(C=O)C=O)cc1C
InChIInChI=1S/C10H11O3PS2/c1-8-5-9(3-4-10(8)16-2)13-14(15,6-11)7-12/h3-7H,1-2H3
InChIKeyRRCSQOKICYZSSD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.87
Rot. Bonds5

About [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde

[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde (PubChem CID 20789980) has the molecular formula C10H11O3PS2 and a molecular weight of 274.30 g/mol. Its IUPAC name is [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde.

Molecular Properties

Compound Name[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde
PubChem CID20789980
Molecular FormulaC10H11O3PS2
Molecular Weight274.30 g/mol
Exact Mass273.99
IUPAC Name[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde
SMILESCSc1ccc(OP(=S)(C=O)C=O)cc1C
InChIInChI=1S/C10H11O3PS2/c1-8-5-9(3-4-10(8)16-2)13-14(15,6-11)7-12/h3-7H,1-2H3
InChIKeyRRCSQOKICYZSSD-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-(3-methyl-4-methylsulfanylphenoxy)-methylperoxy-sulfanylidene-λ5-phosphane
CID 172733624
4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
CID 3084850
CID 68562981
CID 68562981
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
4-(2,2-dimethylpropoxy)-2-methyl-1-methylsulfanylbenzene
CID 129155734
diethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 87802798
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CID 23525793
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820
N-diethoxyphosphoryl-1,3-dithietan-2-imine;N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine
CID 129286526
N-ethyl-N-[1-(3-methyl-4-methylsulfanylphenoxy)ethyl]aniline
CID 21407430
3-[(dimethylamino)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzoic acid
CID 59143844

Frequently Asked Questions

What is the IUPAC name of [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde?
The IUPAC name of [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde (CID 20789980) is [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde.
What is the SMILES notation for [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde?
The canonical SMILES for [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde is CSc1ccc(OP(=S)(C=O)C=O)cc1C.
What is the InChIKey of [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde?
The InChIKey is RRCSQOKICYZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3PS2/c1-8-5-9(3-4-10(8)16-2)13-14(15,6-11)7-12/h3-7H,1-2H3.
What are the key properties of [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde?
[formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde has a molecular weight of 274.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]formaldehyde is sourced from PubChem (CID 20789980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).