5-chloro-4-(ethylsulfanylmethyl)thiadiazole

C5H7ClN2S2 — CID 43625667

IUPAC5-chloro-4-(ethylsulfanylmethyl)thiadiazole
SMILESCCSCc1nnsc1Cl
InChIInChI=1S/C5H7ClN2S2/c1-2-9-3-4-5(6)10-8-7-4/h2-3H2,1H3
InChIKeyODIMNIRKLTWSNA-UHFFFAOYSA-N
MW194.71 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-4-(ethylsulfanylmethyl)thiadiazole

5-chloro-4-(ethylsulfanylmethyl)thiadiazole (PubChem CID 43625667) has the molecular formula C5H7ClN2S2 and a molecular weight of 194.71 g/mol. Its IUPAC name is 5-chloro-4-(ethylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(ethylsulfanylmethyl)thiadiazole
PubChem CID43625667
Molecular FormulaC5H7ClN2S2
Molecular Weight194.71 g/mol
Exact Mass193.97
IUPAC Name5-chloro-4-(ethylsulfanylmethyl)thiadiazole
SMILESCCSCc1nnsc1Cl
InChIInChI=1S/C5H7ClN2S2/c1-2-9-3-4-5(6)10-8-7-4/h2-3H2,1H3
InChIKeyODIMNIRKLTWSNA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(ethylsulfanylmethyl)thiadiazole (CID 43625667) is 5-chloro-4-(ethylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(ethylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(ethylsulfanylmethyl)thiadiazole is CCSCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(ethylsulfanylmethyl)thiadiazole?
The InChIKey is ODIMNIRKLTWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S2/c1-2-9-3-4-5(6)10-8-7-4/h2-3H2,1H3.
What are the key properties of 5-chloro-4-(ethylsulfanylmethyl)thiadiazole?
5-chloro-4-(ethylsulfanylmethyl)thiadiazole has a molecular weight of 194.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 43625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).