1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C10H8N2OS2 — CID 43413998

IUPAC1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccccc1
InChIInChI=1S/C10H8N2OS2/c13-9(8-4-2-1-3-5-8)6-14-10-12-11-7-15-10/h1-5,7H,6H2
InChIKeyVEDNMGMGJUKCJF-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.51
Rot. Bonds4

About 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 43413998) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID43413998
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccccc1
InChIInChI=1S/C10H8N2OS2/c13-9(8-4-2-1-3-5-8)6-14-10-12-11-7-15-10/h1-5,7H,6H2
InChIKeyVEDNMGMGJUKCJF-UHFFFAOYSA-N
XLogP2.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 43413998) is 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is VEDNMGMGJUKCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS2/c13-9(8-4-2-1-3-5-8)6-14-10-12-11-7-15-10/h1-5,7H,6H2.
What are the key properties of 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 43413998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).