(5-methyl-1,2,4-thiadiazol-3-yl)phosphane

C3H5N2PS — CID 90840475

IUPAC(5-methyl-1,2,4-thiadiazol-3-yl)phosphane
SMILESCc1nc(P)ns1
InChIInChI=1S/C3H5N2PS/c1-2-4-3(6)5-7-2/h6H2,1H3
InChIKeyLEYUSBQCNITTAI-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.35
Rot. Bonds

About (5-methyl-1,2,4-thiadiazol-3-yl)phosphane

(5-methyl-1,2,4-thiadiazol-3-yl)phosphane (PubChem CID 90840475) has the molecular formula C3H5N2PS and a molecular weight of 132.13 g/mol. Its IUPAC name is (5-methyl-1,2,4-thiadiazol-3-yl)phosphane.

Molecular Properties

Compound Name(5-methyl-1,2,4-thiadiazol-3-yl)phosphane
PubChem CID90840475
Molecular FormulaC3H5N2PS
Molecular Weight132.13 g/mol
Exact Mass131.99
IUPAC Name(5-methyl-1,2,4-thiadiazol-3-yl)phosphane
SMILESCc1nc(P)ns1
InChIInChI=1S/C3H5N2PS/c1-2-4-3(6)5-7-2/h6H2,1H3
InChIKeyLEYUSBQCNITTAI-UHFFFAOYSA-N
XLogP0.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)phosphane?
The IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)phosphane (CID 90840475) is (5-methyl-1,2,4-thiadiazol-3-yl)phosphane.
What is the SMILES notation for (5-methyl-1,2,4-thiadiazol-3-yl)phosphane?
The canonical SMILES for (5-methyl-1,2,4-thiadiazol-3-yl)phosphane is Cc1nc(P)ns1.
What is the InChIKey of (5-methyl-1,2,4-thiadiazol-3-yl)phosphane?
The InChIKey is LEYUSBQCNITTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2PS/c1-2-4-3(6)5-7-2/h6H2,1H3.
What are the key properties of (5-methyl-1,2,4-thiadiazol-3-yl)phosphane?
(5-methyl-1,2,4-thiadiazol-3-yl)phosphane has a molecular weight of 132.13 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-thiadiazol-3-yl)phosphane is sourced from PubChem (CID 90840475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).