3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole

C10H9ClN2S2 — CID 43808354

IUPAC3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole
SMILESCc1ccc(Sc2nsnc2Cl)c(C)c1
InChIInChI=1S/C10H9ClN2S2/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3
InChIKeyQSVDTPULAXLWCC-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.96
Rot. Bonds2

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

3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole (PubChem CID 43808354) has the molecular formula C10H9ClN2S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole
PubChem CID43808354
Molecular FormulaC10H9ClN2S2
Molecular Weight256.78 g/mol
Exact Mass255.99
IUPAC Name3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole
SMILESCc1ccc(Sc2nsnc2Cl)c(C)c1
InChIInChI=1S/C10H9ClN2S2/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3
InChIKeyQSVDTPULAXLWCC-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole (CID 43808354) is 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole is Cc1ccc(Sc2nsnc2Cl)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole?
The InChIKey is QSVDTPULAXLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S2/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3.
What are the key properties of 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole?
3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole has a molecular weight of 256.78 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenyl)sulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 43808354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).