2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial

C5H6N2S3 — CID 54159040

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
SMILESCc1nsc(SCC=S)n1
InChIInChI=1S/C5H6N2S3/c1-4-6-5(10-7-4)9-3-2-8/h2H,3H2,1H3
InChIKeyMEDUTUZCPRTCPS-UHFFFAOYSA-N
MW190.32 g/mol
LogP1.94
Rot. Bonds3

About 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial

2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial (PubChem CID 54159040) has the molecular formula C5H6N2S3 and a molecular weight of 190.32 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
PubChem CID54159040
Molecular FormulaC5H6N2S3
Molecular Weight190.32 g/mol
Exact Mass189.97
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
SMILESCc1nsc(SCC=S)n1
InChIInChI=1S/C5H6N2S3/c1-4-6-5(10-7-4)9-3-2-8/h2H,3H2,1H3
InChIKeyMEDUTUZCPRTCPS-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial (CID 54159040) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial is Cc1nsc(SCC=S)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial?
The InChIKey is MEDUTUZCPRTCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S3/c1-4-6-5(10-7-4)9-3-2-8/h2H,3H2,1H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial has a molecular weight of 190.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial is sourced from PubChem (CID 54159040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).