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

C5H8N2S2 — CID 57198084

IUPAC2-(1,3,4-thiadiazol-2-yl)propane-2-thiol
SMILESCC(C)(S)c1nncs1
InChIInChI=1S/C5H8N2S2/c1-5(2,8)4-7-6-3-9-4/h3,8H,1-2H3
InChIKeyJYCBTSAMBVZJGC-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.70
Rot. Bonds1

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

2-(1,3,4-thiadiazol-2-yl)propane-2-thiol (PubChem CID 57198084) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-yl)propane-2-thiol
PubChem CID57198084
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name2-(1,3,4-thiadiazol-2-yl)propane-2-thiol
SMILESCC(C)(S)c1nncs1
InChIInChI=1S/C5H8N2S2/c1-5(2,8)4-7-6-3-9-4/h3,8H,1-2H3
InChIKeyJYCBTSAMBVZJGC-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.70
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 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The IUPAC name of 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol (CID 57198084) is 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol is CC(C)(S)c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
The InChIKey is JYCBTSAMBVZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-5(2,8)4-7-6-3-9-4/h3,8H,1-2H3.
What are the key properties of 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol?
2-(1,3,4-thiadiazol-2-yl)propane-2-thiol has a molecular weight of 160.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-yl)propane-2-thiol is sourced from PubChem (CID 57198084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).