3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol

C5H8N2O2S2 — CID 70439579

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nncs1
InChIInChI=1S/C5H8N2O2S2/c8-1-4(9)2-10-5-7-6-3-11-5/h3-4,8-9H,1-2H2
InChIKeyGFVZLZUMFQEUGZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.02
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol

3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol (PubChem CID 70439579) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol
PubChem CID70439579
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol
SMILESOCC(O)CSc1nncs1
InChIInChI=1S/C5H8N2O2S2/c8-1-4(9)2-10-5-7-6-3-11-5/h3-4,8-9H,1-2H2
InChIKeyGFVZLZUMFQEUGZ-UHFFFAOYSA-N
XLogP-0.02
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol (CID 70439579) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol is OCC(O)CSc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol?
The InChIKey is GFVZLZUMFQEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c8-1-4(9)2-10-5-7-6-3-11-5/h3-4,8-9H,1-2H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol?
3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol has a molecular weight of 192.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 70439579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).