2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine

C10H16NO2PS2 — CID 54066490

IUPAC2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine
SMILESCCc1cccc(C(CN)OP(O)(=S)S)c1
InChIInChI=1S/C10H16NO2PS2/c1-2-8-4-3-5-9(6-8)10(7-11)13-14(12,15)16/h3-6,10H,2,7,11H2,1H3,(H2,12,15,16)
InChIKeyMDJIJFNJIKREJI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.41
Rot. Bonds5

About 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine

2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine (PubChem CID 54066490) has the molecular formula C10H16NO2PS2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine
PubChem CID54066490
Molecular FormulaC10H16NO2PS2
Molecular Weight277.35 g/mol
Exact Mass277.04
IUPAC Name2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine
SMILESCCc1cccc(C(CN)OP(O)(=S)S)c1
InChIInChI=1S/C10H16NO2PS2/c1-2-8-4-3-5-9(6-8)10(7-11)13-14(12,15)16/h3-6,10H,2,7,11H2,1H3,(H2,12,15,16)
InChIKeyMDJIJFNJIKREJI-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218
2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
1-butan-2-yl-3-ethylbenzene
CID 528681
2-(3-ethylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 55015460
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
methyl 2-(3-ethylphenyl)pentanoate
CID 142878372
1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine?
The IUPAC name of 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine (CID 54066490) is 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine.
What is the SMILES notation for 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine?
The canonical SMILES for 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine is CCc1cccc(C(CN)OP(O)(=S)S)c1.
What is the InChIKey of 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine?
The InChIKey is MDJIJFNJIKREJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2PS2/c1-2-8-4-3-5-9(6-8)10(7-11)13-14(12,15)16/h3-6,10H,2,7,11H2,1H3,(H2,12,15,16).
What are the key properties of 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine?
2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine has a molecular weight of 277.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethanamine is sourced from PubChem (CID 54066490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).