2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide

C7H15FNO2PS2 — CID 117063359

IUPAC2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide
SMILESCCOP(C)(=S)SC(F)C(=O)N(C)C
InChIInChI=1S/C7H15FNO2PS2/c1-5-11-12(4,13)14-6(8)7(10)9(2)3/h6H,5H2,1-4H3
InChIKeyRBUGQDSMOJCPPA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.08
Rot. Bonds5

About 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide

2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide (PubChem CID 117063359) has the molecular formula C7H15FNO2PS2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide
PubChem CID117063359
Molecular FormulaC7H15FNO2PS2
Molecular Weight259.31 g/mol
Exact Mass259.03
IUPAC Name2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide
SMILESCCOP(C)(=S)SC(F)C(=O)N(C)C
InChIInChI=1S/C7H15FNO2PS2/c1-5-11-12(4,13)14-6(8)7(10)9(2)3/h6H,5H2,1-4H3
InChIKeyRBUGQDSMOJCPPA-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-diethoxyphosphinothioyl N,N-dimethylcarbamothioate
CID 117059462
ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]-methylamino]-3-methylbutanoate
CID 23263814
2-fluoro-N,N-dimethylbutanamide
CID 14592376
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
O-ethyl 3-(dimethylamino)-2-methyl-3-oxopropanethioate
CID 142771269
2-fluoro-N,N-dimethylpentanamide
CID 135391133
S-[ethoxy(methyl)phosphinothioyl] N-(4-chlorophenyl)-N-propan-2-ylcarbamothioate
CID 21321246
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
CID 51350832
[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
CID 141322908

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide?
The IUPAC name of 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide (CID 117063359) is 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide is CCOP(C)(=S)SC(F)C(=O)N(C)C.
What is the InChIKey of 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide?
The InChIKey is RBUGQDSMOJCPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FNO2PS2/c1-5-11-12(4,13)14-6(8)7(10)9(2)3/h6H,5H2,1-4H3.
What are the key properties of 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide?
2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide has a molecular weight of 259.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-2-fluoro-N,N-dimethylacetamide is sourced from PubChem (CID 117063359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).