4-but-2-enylthiadiazole

C6H8N2S — CID 173412709

IUPAC4-but-2-enylthiadiazole
SMILESCC=CCc1csnn1
InChIInChI=1S/C6H8N2S/c1-2-3-4-6-5-9-8-7-6/h2-3,5H,4H2,1H3
InChIKeyLGTZCCGTZNVRBF-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.66
Rot. Bonds2

About 4-but-2-enylthiadiazole

4-but-2-enylthiadiazole (PubChem CID 173412709) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 4-but-2-enylthiadiazole.

Molecular Properties

Compound Name4-but-2-enylthiadiazole
PubChem CID173412709
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name4-but-2-enylthiadiazole
SMILESCC=CCc1csnn1
InChIInChI=1S/C6H8N2S/c1-2-3-4-6-5-9-8-7-6/h2-3,5H,4H2,1H3
InChIKeyLGTZCCGTZNVRBF-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
4-Prop-2-enylthiadiazole
CID 54454030
4-But-3-enylthiadiazole
CID 54540167
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
4-Hepta-1,3-dien-2-ylthiadiazole
CID 123693145
4-(3H-dithiol-3-yl)thiadiazole
CID 141258917
4-(1-Methylsulfanylethyl)thiadiazole
CID 141307552
ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole
CID 143217267

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enylthiadiazole?
The IUPAC name of 4-but-2-enylthiadiazole (CID 173412709) is 4-but-2-enylthiadiazole.
What is the SMILES notation for 4-but-2-enylthiadiazole?
The canonical SMILES for 4-but-2-enylthiadiazole is CC=CCc1csnn1.
What is the InChIKey of 4-but-2-enylthiadiazole?
The InChIKey is LGTZCCGTZNVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-3-4-6-5-9-8-7-6/h2-3,5H,4H2,1H3.
What are the key properties of 4-but-2-enylthiadiazole?
4-but-2-enylthiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enylthiadiazole is sourced from PubChem (CID 173412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).