5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

C5H7FN2S3 — CID 3769154

IUPAC5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESFCCCSc1n[nH]c(=S)s1
InChIInChI=1S/C5H7FN2S3/c6-2-1-3-10-5-8-7-4(9)11-5/h1-3H2,(H,7,9)
InChIKeyONUCYHOUHWGGPL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.65
Rot. Bonds4

About 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 3769154) has the molecular formula C5H7FN2S3 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID3769154
Molecular FormulaC5H7FN2S3
Molecular Weight210.32 g/mol
Exact Mass209.98
IUPAC Name5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESFCCCSc1n[nH]c(=S)s1
InChIInChI=1S/C5H7FN2S3/c6-2-1-3-10-5-8-7-4(9)11-5/h1-3H2,(H,7,9)
InChIKeyONUCYHOUHWGGPL-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (CID 3769154) is 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is FCCCSc1n[nH]c(=S)s1.
What is the InChIKey of 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is ONUCYHOUHWGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S3/c6-2-1-3-10-5-8-7-4(9)11-5/h1-3H2,(H,7,9).
What are the key properties of 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 210.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 3769154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).