dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane

C6H13N2O3PS3 — CID 87893678

IUPACdimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
SMILESCOC1=NN(CSP(=S)(OC)OC)CS1
InChIInChI=1S/C6H13N2O3PS3/c1-9-6-7-8(4-14-6)5-15-12(13,10-2)11-3/h4-5H2,1-3H3
InChIKeyNXZQBJOVHSUGLD-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.12
Rot. Bonds5

About dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane

dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane (PubChem CID 87893678) has the molecular formula C6H13N2O3PS3 and a molecular weight of 288.36 g/mol. Its IUPAC name is dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
PubChem CID87893678
Molecular FormulaC6H13N2O3PS3
Molecular Weight288.36 g/mol
Exact Mass287.98
IUPAC Namedimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
SMILESCOC1=NN(CSP(=S)(OC)OC)CS1
InChIInChI=1S/C6H13N2O3PS3/c1-9-6-7-8(4-14-6)5-15-12(13,10-2)11-3/h4-5H2,1-3H3
InChIKeyNXZQBJOVHSUGLD-UHFFFAOYSA-N
XLogP2.12
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane (CID 87893678) is dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane is COC1=NN(CSP(=S)(OC)OC)CS1.
What is the InChIKey of dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane?
The InChIKey is NXZQBJOVHSUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O3PS3/c1-9-6-7-8(4-14-6)5-15-12(13,10-2)11-3/h4-5H2,1-3H3.
What are the key properties of dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane?
dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane has a molecular weight of 288.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[(5-methoxy-2H-1,3,4-thiadiazol-3-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87893678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).