4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C6H10N2OS2 — CID 43510119

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESOCCCCSc1nncs1
InChIInChI=1S/C6H10N2OS2/c9-3-1-2-4-10-6-8-7-5-11-6/h5,9H,1-4H2
InChIKeyVOBJTCLCVVFJAF-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.40
Rot. Bonds5

About 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 43510119) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID43510119
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESOCCCCSc1nncs1
InChIInChI=1S/C6H10N2OS2/c9-3-1-2-4-10-6-8-7-5-11-6/h5,9H,1-4H2
InChIKeyVOBJTCLCVVFJAF-UHFFFAOYSA-N
XLogP1.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 43510119) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is OCCCCSc1nncs1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is VOBJTCLCVVFJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c9-3-1-2-4-10-6-8-7-5-11-6/h5,9H,1-4H2.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 43510119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).