prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C3H13NO6P2S2 — CID 87783946

IUPACprop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC=CCN.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H7N.2H3O3PS/c1-2-3-4;2*1-4(2,3)5/h2H,1,3-4H2;2*(H3,1,2,3,5)
InChIKeyJJUWYVWUXFZCHN-UHFFFAOYSA-N
MW285.22 g/mol
LogP-1.49
Rot. Bonds1

About prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 87783946) has the molecular formula C3H13NO6P2S2 and a molecular weight of 285.22 g/mol. Its IUPAC name is prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Nameprop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID87783946
Molecular FormulaC3H13NO6P2S2
Molecular Weight285.22 g/mol
Exact Mass284.97
IUPAC Nameprop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC=CCN.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H7N.2H3O3PS/c1-2-3-4;2*1-4(2,3)5/h2H,1,3-4H2;2*(H3,1,2,3,5)
InChIKeyJJUWYVWUXFZCHN-UHFFFAOYSA-N
XLogP-1.49
TPSA147.40 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluorophosphonic acid;prop-2-en-1-amine
CID 173413969
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276
azane;prop-2-en-1-amine;hydrochloride
CID 174769077
prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
fluoromethane;prop-2-en-1-amine
CID 173426164
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454
2-methylpropane;prop-2-en-1-amine
CID 161130166
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
ethenyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 54284161
ethenone;prop-2-en-1-amine
CID 173182769
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150

Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 87783946) is prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is C=CCN.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is JJUWYVWUXFZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.2H3O3PS/c1-2-3-4;2*1-4(2,3)5/h2H,1,3-4H2;2*(H3,1,2,3,5).
What are the key properties of prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 285.22 g/mol, XLogP of -1.49, 1 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 87783946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).