diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane

C13H17N2O2PS3 — CID 2796809

IUPACdiethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H17N2O2PS3/c1-3-16-18(19,17-4-2)21-9-11-5-7-12(8-6-11)13-10-20-15-14-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGZMFCMYIIBXMSN-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.74
Rot. Bonds8

About diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane

diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane (PubChem CID 2796809) has the molecular formula C13H17N2O2PS3 and a molecular weight of 360.47 g/mol. Its IUPAC name is diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane
PubChem CID2796809
Molecular FormulaC13H17N2O2PS3
Molecular Weight360.47 g/mol
Exact Mass360.02
IUPAC Namediethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H17N2O2PS3/c1-3-16-18(19,17-4-2)21-9-11-5-7-12(8-6-11)13-10-20-15-14-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGZMFCMYIIBXMSN-UHFFFAOYSA-N
XLogP4.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane (CID 2796809) is diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane is CCOP(=S)(OCC)SCc1ccc(-c2csnn2)cc1.
What is the InChIKey of diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane?
The InChIKey is GZMFCMYIIBXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O2PS3/c1-3-16-18(19,17-4-2)21-9-11-5-7-12(8-6-11)13-10-20-15-14-13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane?
diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane has a molecular weight of 360.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-[[4-(thiadiazol-4-yl)phenyl]methylsulfanyl]-lambda5-phosphane is sourced from PubChem (CID 2796809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).