3-(1,3,4-thiadiazol-2-yl)propane-1-thiol

C5H8N2S2 — CID 57159342

IUPAC3-(1,3,4-thiadiazol-2-yl)propane-1-thiol
SMILESSCCCc1nncs1
InChIInChI=1S/C5H8N2S2/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2
InChIKeyIBRYSPVKLRSVBE-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.40
Rot. Bonds3

About 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol

3-(1,3,4-thiadiazol-2-yl)propane-1-thiol (PubChem CID 57159342) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-yl)propane-1-thiol
PubChem CID57159342
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name3-(1,3,4-thiadiazol-2-yl)propane-1-thiol
SMILESSCCCc1nncs1
InChIInChI=1S/C5H8N2S2/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2
InChIKeyIBRYSPVKLRSVBE-UHFFFAOYSA-N
XLogP1.40
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol?
The IUPAC name of 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol (CID 57159342) is 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol is SCCCc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol?
The InChIKey is IBRYSPVKLRSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c8-3-1-2-5-7-6-4-9-5/h4,8H,1-3H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol?
3-(1,3,4-thiadiazol-2-yl)propane-1-thiol has a molecular weight of 160.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-yl)propane-1-thiol is sourced from PubChem (CID 57159342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).