methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane

C7H13O3PS — CID 15367276

IUPACmethoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC)OCC=C
InChIInChI=1S/C7H13O3PS/c1-4-6-9-11(12,8-3)10-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyPKQIMLRZWPTTCB-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.26
Rot. Bonds7

About methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane

methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane (PubChem CID 15367276) has the molecular formula C7H13O3PS and a molecular weight of 208.22 g/mol. Its IUPAC name is methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
PubChem CID15367276
Molecular FormulaC7H13O3PS
Molecular Weight208.22 g/mol
Exact Mass208.03
IUPAC Namemethoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC)OCC=C
InChIInChI=1S/C7H13O3PS/c1-4-6-9-11(12,8-3)10-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyPKQIMLRZWPTTCB-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane (CID 15367276) is methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane is C=CCOP(=S)(OC)OCC=C.
What is the InChIKey of methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is PKQIMLRZWPTTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3PS/c1-4-6-9-11(12,8-3)10-7-5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane?
methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 208.22 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 15367276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).