N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide

C7H16NO2PS2 — CID 88653940

IUPACN-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
SMILESCCOP(=S)(NC=O)SCC(C)C
InChIInChI=1S/C7H16NO2PS2/c1-4-10-11(12,8-6-9)13-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,8,9,12)
InChIKeyNPYGWTLECMPQRQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.38
Rot. Bonds7

About N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide

N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide (PubChem CID 88653940) has the molecular formula C7H16NO2PS2 and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide.

Molecular Properties

Compound NameN-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
PubChem CID88653940
Molecular FormulaC7H16NO2PS2
Molecular Weight241.32 g/mol
Exact Mass241.04
IUPAC NameN-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
SMILESCCOP(=S)(NC=O)SCC(C)C
InChIInChI=1S/C7H16NO2PS2/c1-4-10-11(12,8-6-9)13-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,8,9,12)
InChIKeyNPYGWTLECMPQRQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[ethoxy(2-methylbutylsulfanyl)phosphinothioyl]methanethioamide
CID 88689286
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13296683
N-[2,2-dimethylpropylsulfanyl(ethoxy)phosphinothioyl]methanethioamide
CID 88653750
1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
CID 88780070
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
CID 88792107
alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
CID 175017596
4,4-bis(diethoxyphosphoryl)-2-propan-2-ylbutanal
CID 135001316
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
1-[ethoxy(2-methylpropylsulfanyl)phosphoryl]-3-pyridin-2-ylthiourea
CID 54109028
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
N-[cyano(diethoxyphosphoryl)methyl]formamide
CID 15470141
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide?
The IUPAC name of N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide (CID 88653940) is N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide.
What is the SMILES notation for N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide?
The canonical SMILES for N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide is CCOP(=S)(NC=O)SCC(C)C.
What is the InChIKey of N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide?
The InChIKey is NPYGWTLECMPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2PS2/c1-4-10-11(12,8-6-9)13-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,8,9,12).
What are the key properties of N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide?
N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide has a molecular weight of 241.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide is sourced from PubChem (CID 88653940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).