5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole

C9H13ClN2S2 — CID 60675226

IUPAC5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSC1CCCCC1
InChIInChI=1S/C9H13ClN2S2/c10-9-8(11-12-14-9)6-13-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyCPXQKJFMYINMSQ-UHFFFAOYSA-N
MW248.80 g/mol
LogP3.76
Rot. Bonds3

About 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole

5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole (PubChem CID 60675226) has the molecular formula C9H13ClN2S2 and a molecular weight of 248.80 g/mol. Its IUPAC name is 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole
PubChem CID60675226
Molecular FormulaC9H13ClN2S2
Molecular Weight248.80 g/mol
Exact Mass248.02
IUPAC Name5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSC1CCCCC1
InChIInChI=1S/C9H13ClN2S2/c10-9-8(11-12-14-9)6-13-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyCPXQKJFMYINMSQ-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole (CID 60675226) is 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole is Clc1snnc1CSC1CCCCC1.
What is the InChIKey of 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole?
The InChIKey is CPXQKJFMYINMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S2/c10-9-8(11-12-14-9)6-13-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole?
5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole has a molecular weight of 248.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclohexylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 60675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).