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

C5H8N2S2 — CID 57221431

IUPAC1-(1,3,4-thiadiazol-2-yl)propane-2-thiol
SMILESCC(S)Cc1nncs1
InChIInChI=1S/C5H8N2S2/c1-4(8)2-5-7-6-3-9-5/h3-4,8H,2H2,1H3
InChIKeyFPMVOXPMWUJGLL-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.40
Rot. Bonds2

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

1-(1,3,4-thiadiazol-2-yl)propane-2-thiol (PubChem CID 57221431) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)propane-2-thiol
PubChem CID57221431
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name1-(1,3,4-thiadiazol-2-yl)propane-2-thiol
SMILESCC(S)Cc1nncs1
InChIInChI=1S/C5H8N2S2/c1-4(8)2-5-7-6-3-9-5/h3-4,8H,2H2,1H3
InChIKeyFPMVOXPMWUJGLL-UHFFFAOYSA-N
XLogP1.40
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol (CID 57221431) is 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol is CC(S)Cc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The InChIKey is FPMVOXPMWUJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4(8)2-5-7-6-3-9-5/h3-4,8H,2H2,1H3.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
1-(1,3,4-thiadiazol-2-yl)propane-2-thiol has a molecular weight of 160.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)propane-2-thiol is sourced from PubChem (CID 57221431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).