azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane

C3H10NO2PS2 — CID 87783945

IUPACazane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCOP(O)(=S)S.N
InChIInChI=1S/C3H7O2PS2.H3N/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);1H3
InChIKeyATWFRFPXXVMLHU-UHFFFAOYSA-N
MW187.23 g/mol
LogP1.50
Rot. Bonds3

About azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane

azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87783945) has the molecular formula C3H10NO2PS2 and a molecular weight of 187.23 g/mol. Its IUPAC name is azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87783945
Molecular FormulaC3H10NO2PS2
Molecular Weight187.23 g/mol
Exact Mass186.99
IUPAC Nameazane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESC=CCOP(O)(=S)S.N
InChIInChI=1S/C3H7O2PS2.H3N/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);1H3
InChIKeyATWFRFPXXVMLHU-UHFFFAOYSA-N
XLogP1.50
TPSA64.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enyl dihydrogen phosphate
CID 87755414
ethenyl-hydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 154162230
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
CID 152706719
methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
CID 15367276
dihydroxy-prop-2-enoxy-sulfanylidene-λ5-phosphane;phenol
CID 87149561
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852
iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
CID 87288661
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 175740324
azane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23205543
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 87783945) is azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane is C=CCOP(O)(=S)S.N.
What is the InChIKey of azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ATWFRFPXXVMLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS2.H3N/c1-2-3-5-6(4,7)8;/h2H,1,3H2,(H2,4,7,8);1H3.
What are the key properties of azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane?
azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 187.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87783945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).