3-chloro-4-propylsulfanyl-1,2,5-thiadiazole

C5H7ClN2S2 — CID 10774217

IUPAC3-chloro-4-propylsulfanyl-1,2,5-thiadiazole
SMILESCCCSc1nsnc1Cl
InChIInChI=1S/C5H7ClN2S2/c1-2-3-9-5-4(6)7-10-8-5/h2-3H2,1H3
InChIKeyXLIKGSZQTIINTG-UHFFFAOYSA-N
MW194.71 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole

3-chloro-4-propylsulfanyl-1,2,5-thiadiazole (PubChem CID 10774217) has the molecular formula C5H7ClN2S2 and a molecular weight of 194.71 g/mol. Its IUPAC name is 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-propylsulfanyl-1,2,5-thiadiazole
PubChem CID10774217
Molecular FormulaC5H7ClN2S2
Molecular Weight194.71 g/mol
Exact Mass193.97
IUPAC Name3-chloro-4-propylsulfanyl-1,2,5-thiadiazole
SMILESCCCSc1nsnc1Cl
InChIInChI=1S/C5H7ClN2S2/c1-2-3-9-5-4(6)7-10-8-5/h2-3H2,1H3
InChIKeyXLIKGSZQTIINTG-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole (CID 10774217) is 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole is CCCSc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole?
The InChIKey is XLIKGSZQTIINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S2/c1-2-3-9-5-4(6)7-10-8-5/h2-3H2,1H3.
What are the key properties of 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole?
3-chloro-4-propylsulfanyl-1,2,5-thiadiazole has a molecular weight of 194.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propylsulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 10774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).