3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole

C6H9ClN2S2 — CID 43808347

IUPAC3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole
SMILESCC(C)(C)Sc1nsnc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-6(2,3)10-5-4(7)8-11-9-5/h1-3H3
InChIKeyCFNXFQZGKUSXNV-UHFFFAOYSA-N
MW208.74 g/mol
LogP3.08
Rot. Bonds1

About 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole

3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole (PubChem CID 43808347) has the molecular formula C6H9ClN2S2 and a molecular weight of 208.74 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole
PubChem CID43808347
Molecular FormulaC6H9ClN2S2
Molecular Weight208.74 g/mol
Exact Mass207.99
IUPAC Name3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole
SMILESCC(C)(C)Sc1nsnc1Cl
InChIInChI=1S/C6H9ClN2S2/c1-6(2,3)10-5-4(7)8-11-9-5/h1-3H3
InChIKeyCFNXFQZGKUSXNV-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole (CID 43808347) is 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole is CC(C)(C)Sc1nsnc1Cl.
What is the InChIKey of 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole?
The InChIKey is CFNXFQZGKUSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S2/c1-6(2,3)10-5-4(7)8-11-9-5/h1-3H3.
What are the key properties of 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole?
3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole has a molecular weight of 208.74 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 43808347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).