thiadiazol-4-ylmethyl formate

C4H4N2O2S — CID 123418925

IUPACthiadiazol-4-ylmethyl formate
SMILESO=COCc1csnn1
InChIInChI=1S/C4H4N2O2S/c7-3-8-1-4-2-9-6-5-4/h2-3H,1H2
InChIKeyJRVXCTNHUYVXAJ-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.21
Rot. Bonds3

About thiadiazol-4-ylmethyl formate

thiadiazol-4-ylmethyl formate (PubChem CID 123418925) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is thiadiazol-4-ylmethyl formate.

Molecular Properties

Compound Namethiadiazol-4-ylmethyl formate
PubChem CID123418925
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Namethiadiazol-4-ylmethyl formate
SMILESO=COCc1csnn1
InChIInChI=1S/C4H4N2O2S/c7-3-8-1-4-2-9-6-5-4/h2-3H,1H2
InChIKeyJRVXCTNHUYVXAJ-UHFFFAOYSA-N
XLogP0.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 11789474
CID 11789474
CID 23080864
CID 23080864
CID 59154835
CID 59154835
CID 171518023
CID 171518023
CID 174442727
CID 174442727
CID 174491463
CID 174491463
CID 71342455
CID 71342455
CID 131211856
CID 131211856

Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-ylmethyl formate?
The IUPAC name of thiadiazol-4-ylmethyl formate (CID 123418925) is thiadiazol-4-ylmethyl formate.
What is the SMILES notation for thiadiazol-4-ylmethyl formate?
The canonical SMILES for thiadiazol-4-ylmethyl formate is O=COCc1csnn1.
What is the InChIKey of thiadiazol-4-ylmethyl formate?
The InChIKey is JRVXCTNHUYVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c7-3-8-1-4-2-9-6-5-4/h2-3H,1H2.
What are the key properties of thiadiazol-4-ylmethyl formate?
thiadiazol-4-ylmethyl formate has a molecular weight of 144.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-ylmethyl formate is sourced from PubChem (CID 123418925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).