5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole

C10H9ClN2S2 — CID 43407842

IUPAC5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole
SMILESCc1ccc(SCc2nnsc2Cl)cc1
InChIInChI=1S/C10H9ClN2S2/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h2-5H,6H2,1H3
InChIKeyDLPXLFJSSNXPSE-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole

5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole (PubChem CID 43407842) has the molecular formula C10H9ClN2S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole
PubChem CID43407842
Molecular FormulaC10H9ClN2S2
Molecular Weight256.78 g/mol
Exact Mass255.99
IUPAC Name5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole
SMILESCc1ccc(SCc2nnsc2Cl)cc1
InChIInChI=1S/C10H9ClN2S2/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h2-5H,6H2,1H3
InChIKeyDLPXLFJSSNXPSE-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(4-methylphenyl)sulfanylmethyl]thiadiazol-5-amine
CID 62189083
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-4-methylaniline
CID 79142237
4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 62188904
5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole
CID 62408977
5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
CID 29249830
5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
CID 33001886
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
CID 29376689
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]furan-2-carboxylic acid
CID 63941968
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47132262
4-(butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408125
4-(phenylsulfanylmethyl)thiadiazol-5-amine
CID 62189604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole (CID 43407842) is 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole is Cc1ccc(SCc2nnsc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole?
The InChIKey is DLPXLFJSSNXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S2/c1-7-2-4-8(5-3-7)14-6-9-10(11)15-13-12-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole?
5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole has a molecular weight of 256.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole is sourced from PubChem (CID 43407842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).