2-(phosphanylamino)-2-sulfanylacetaldehyde

C2H6NOPS — CID 134179040

IUPAC2-(phosphanylamino)-2-sulfanylacetaldehyde
SMILESO=CC(S)NP
InChIInChI=1S/C2H6NOPS/c4-1-2(6)3-5/h1-3,6H,5H2
InChIKeyHMYYBBDSVCMWCH-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.18
Rot. Bonds2

About 2-(phosphanylamino)-2-sulfanylacetaldehyde

2-(phosphanylamino)-2-sulfanylacetaldehyde (PubChem CID 134179040) has the molecular formula C2H6NOPS and a molecular weight of 123.12 g/mol. Its IUPAC name is 2-(phosphanylamino)-2-sulfanylacetaldehyde.

Molecular Properties

Compound Name2-(phosphanylamino)-2-sulfanylacetaldehyde
PubChem CID134179040
Molecular FormulaC2H6NOPS
Molecular Weight123.12 g/mol
Exact Mass122.99
IUPAC Name2-(phosphanylamino)-2-sulfanylacetaldehyde
SMILESO=CC(S)NP
InChIInChI=1S/C2H6NOPS/c4-1-2(6)3-5/h1-3,6H,5H2
InChIKeyHMYYBBDSVCMWCH-UHFFFAOYSA-N
XLogP-0.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(sulfanyl)hexanedial
CID 22094701
phosphanylformaldehyde;uranium
CID 21050035
3-oxo-2-sulfanylbutanal
CID 18759412
N-[2-(phosphanylamino)propoxy]formamide
CID 144814967
2-(disulfanyl)propanedial
CID 20573951
(2S)-3-hydroxy-2-(sulfanylamino)propanal
CID 89400189
(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride
CID 122696324
(2R)-2-(ethylamino)-3-sulfanylpropanal
CID 91407300
2-oxo-N-phosphanylacetamide
CID 118246607
(2R,3S,4R)-3,5-dihydroxy-2-methoxy-4-sulfanylpentanal
CID 138609322
3-methyl-2-(3-oxopropylamino)-3-sulfanylbutanal
CID 122661832
2-methylpropanal;titanium
CID 87093638

Frequently Asked Questions

What is the IUPAC name of 2-(phosphanylamino)-2-sulfanylacetaldehyde?
The IUPAC name of 2-(phosphanylamino)-2-sulfanylacetaldehyde (CID 134179040) is 2-(phosphanylamino)-2-sulfanylacetaldehyde.
What is the SMILES notation for 2-(phosphanylamino)-2-sulfanylacetaldehyde?
The canonical SMILES for 2-(phosphanylamino)-2-sulfanylacetaldehyde is O=CC(S)NP.
What is the InChIKey of 2-(phosphanylamino)-2-sulfanylacetaldehyde?
The InChIKey is HMYYBBDSVCMWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NOPS/c4-1-2(6)3-5/h1-3,6H,5H2.
What are the key properties of 2-(phosphanylamino)-2-sulfanylacetaldehyde?
2-(phosphanylamino)-2-sulfanylacetaldehyde has a molecular weight of 123.12 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphanylamino)-2-sulfanylacetaldehyde is sourced from PubChem (CID 134179040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).