N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide

C10H14NO4PS — CID 3053970

IUPACN-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide
SMILESCOP(=S)(OC)Oc1ccc(NC=O)c(C)c1
InChIInChI=1S/C10H14NO4PS/c1-8-6-9(4-5-10(8)11-7-12)15-16(17,13-2)14-3/h4-7H,1-3H3,(H,11,12)
InChIKeyFPTMHUFUDLSQJC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds6

About N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide

N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide (PubChem CID 3053970) has the molecular formula C10H14NO4PS and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide.

Molecular Properties

Compound NameN-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide
PubChem CID3053970
Molecular FormulaC10H14NO4PS
Molecular Weight275.27 g/mol
Exact Mass275.04
IUPAC NameN-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide
SMILESCOP(=S)(OC)Oc1ccc(NC=O)c(C)c1
InChIInChI=1S/C10H14NO4PS/c1-8-6-9(4-5-10(8)11-7-12)15-16(17,13-2)14-3/h4-7H,1-3H3,(H,11,12)
InChIKeyFPTMHUFUDLSQJC-UHFFFAOYSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide?
The IUPAC name of N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide (CID 3053970) is N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide.
What is the SMILES notation for N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide?
The canonical SMILES for N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide is COP(=S)(OC)Oc1ccc(NC=O)c(C)c1.
What is the InChIKey of N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide?
The InChIKey is FPTMHUFUDLSQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO4PS/c1-8-6-9(4-5-10(8)11-7-12)15-16(17,13-2)14-3/h4-7H,1-3H3,(H,11,12).
What are the key properties of N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide?
N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide has a molecular weight of 275.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide is sourced from PubChem (CID 3053970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).