ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate

C6H8N2O2S2 — CID 19839125

IUPACethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nncs1
InChIInChI=1S/C6H8N2O2S2/c1-2-10-5(9)3-11-6-8-7-4-12-6/h4H,2-3H2,1H3
InChIKeyCBSUYJAROBTUJF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate

ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate (PubChem CID 19839125) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
PubChem CID19839125
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Nameethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nncs1
InChIInChI=1S/C6H8N2O2S2/c1-2-10-5(9)3-11-6-8-7-4-12-6/h4H,2-3H2,1H3
InChIKeyCBSUYJAROBTUJF-UHFFFAOYSA-N
XLogP1.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate (CID 19839125) is ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate is CCOC(=O)CSc1nncs1.
What is the InChIKey of ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The InChIKey is CBSUYJAROBTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-2-10-5(9)3-11-6-8-7-4-12-6/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate has a molecular weight of 204.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 19839125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).