3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole

C4H4Cl2N2OS — CID 18988297

IUPAC3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole
SMILESCC(Cl)Oc1nsnc1Cl
InChIInChI=1S/C4H4Cl2N2OS/c1-2(5)9-4-3(6)7-10-8-4/h2H,1H3
InChIKeyGPMQOACTZZETAX-UHFFFAOYSA-N
MW199.06 g/mol
LogP2.16
Rot. Bonds2

About 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole

3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole (PubChem CID 18988297) has the molecular formula C4H4Cl2N2OS and a molecular weight of 199.06 g/mol. Its IUPAC name is 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole
PubChem CID18988297
Molecular FormulaC4H4Cl2N2OS
Molecular Weight199.06 g/mol
Exact Mass197.94
IUPAC Name3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole
SMILESCC(Cl)Oc1nsnc1Cl
InChIInChI=1S/C4H4Cl2N2OS/c1-2(5)9-4-3(6)7-10-8-4/h2H,1H3
InChIKeyGPMQOACTZZETAX-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Chloro-4-propoxy-1,2,5-thiadiazole
CID 10583490
3-Chloro-4-butyloxy-1,2,5-thiadiazole
CID 10607798
1,2,5-Thiadiazole, 3-chloro-4-(pentyloxy)-
CID 10703512
3-Chloro-4-ethoxy-1,2,5-thiadiazole
CID 19349042
3-Chloro-4-isopropoxy-[1,2,5]thiadiazole
CID 43808056
3-Chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
CID 43808043
3-Chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
CID 82004463
3-Chloro-4-(3,3,3-trifluoropropoxy)-1,2,5-thiadiazole
CID 82955068
3-Chloro-4-prop-2-ynoxy-1,2,5-thiadiazole
CID 43808081
3-Chloro-4-(2-chloroethoxy)-1,2,5-thiadiazole
CID 53681078
3-But-2-ynoxy-4-chloro-1,2,5-thiadiazole
CID 154124642
3-Chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
CID 43808045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole (CID 18988297) is 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole is CC(Cl)Oc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole?
The InChIKey is GPMQOACTZZETAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2OS/c1-2(5)9-4-3(6)7-10-8-4/h2H,1H3.
What are the key properties of 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole?
3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole has a molecular weight of 199.06 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 18988297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).