N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide

C8H18NOPS2 — CID 117061131

IUPACN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
SMILESCCC(C)SP(C)(=S)N(C=O)CC
InChIInChI=1S/C8H18NOPS2/c1-5-8(3)13-11(4,12)9(6-2)7-10/h7-8H,5-6H2,1-4H3
InChIKeyMBPOWDJHQCJDIH-UHFFFAOYSA-N
MW239.35 g/mol
LogP2.94
Rot. Bonds6

About N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide

N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide (PubChem CID 117061131) has the molecular formula C8H18NOPS2 and a molecular weight of 239.35 g/mol. Its IUPAC name is N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
PubChem CID117061131
Molecular FormulaC8H18NOPS2
Molecular Weight239.35 g/mol
Exact Mass239.06
IUPAC NameN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
SMILESCCC(C)SP(C)(=S)N(C=O)CC
InChIInChI=1S/C8H18NOPS2/c1-5-8(3)13-11(4,12)9(6-2)7-10/h7-8H,5-6H2,1-4H3
InChIKeyMBPOWDJHQCJDIH-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
CID 117061132
N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide
CID 54113607
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
N-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-N-hex-5-enylmethanethioamide
CID 54136413
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
S-propyl 2-[[butan-2-ylsulfanyl-[formyl(methyl)amino]phosphoryl]-methylamino]-2-oxoethanethioate
CID 54293744
N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
CID 86742742
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylprop-2-enamide
CID 88784059
2-[bis(butan-2-ylsulfanyl)phosphorylmethyl-ethylamino]acetic acid
CID 88776343
N'-(4-acetylphenyl)-N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-ethylmethanimidamide
CID 57099973
N'-[butan-2-ylsulfanyl(propan-2-yloxy)phosphinothioyl]-N-prop-1-enylmethanimidamide
CID 173445437

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide?
The IUPAC name of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide (CID 117061131) is N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide.
What is the SMILES notation for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide?
The canonical SMILES for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide is CCC(C)SP(C)(=S)N(C=O)CC.
What is the InChIKey of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide?
The InChIKey is MBPOWDJHQCJDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NOPS2/c1-5-8(3)13-11(4,12)9(6-2)7-10/h7-8H,5-6H2,1-4H3.
What are the key properties of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide?
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide has a molecular weight of 239.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide is sourced from PubChem (CID 117061131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).