5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole

C7H11ClN2S2 — CID 43408134

IUPAC5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole
SMILESCC(C)CSCc1nnsc1Cl
InChIInChI=1S/C7H11ClN2S2/c1-5(2)3-11-4-6-7(8)12-10-9-6/h5H,3-4H2,1-2H3
InChIKeyBHUBVMCVICVTNJ-UHFFFAOYSA-N
MW222.77 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole

5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole (PubChem CID 43408134) has the molecular formula C7H11ClN2S2 and a molecular weight of 222.77 g/mol. Its IUPAC name is 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole
PubChem CID43408134
Molecular FormulaC7H11ClN2S2
Molecular Weight222.77 g/mol
Exact Mass222.01
IUPAC Name5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole
SMILESCC(C)CSCc1nnsc1Cl
InChIInChI=1S/C7H11ClN2S2/c1-5(2)3-11-4-6-7(8)12-10-9-6/h5H,3-4H2,1-2H3
InChIKeyBHUBVMCVICVTNJ-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-4-(methylsulfanylmethyl)thiadiazole
CID 61023846
5-Chloro-4-(1-methylsulfanylethyl)thiadiazole
CID 141307570
2-[(5-Chlorothiadiazol-4-yl)methylsulfanyl]ethanamine
CID 43249549
4-(Butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408125
4-(Butan-2-ylsulfanylmethyl)-5-chlorothiadiazole
CID 43408130
4-(Tert-butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408146
5-Chloro-4-(2-methoxyethylsulfanylmethyl)thiadiazole
CID 43423616
5-Chloro-4-(ethylsulfanylmethyl)thiadiazole
CID 43625667
5-Chloro-4-(propylsulfanylmethyl)thiadiazole
CID 43625668
5-Chloro-4-(cyclohexylsulfanylmethyl)thiadiazole
CID 60675226
5-Chloro-4-(cyclopentylsulfanylmethyl)thiadiazole
CID 60730745
5-Chloro-4-(propan-2-ylsulfanylmethyl)thiadiazole
CID 60884050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole (CID 43408134) is 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole is CC(C)CSCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole?
The InChIKey is BHUBVMCVICVTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S2/c1-5(2)3-11-4-6-7(8)12-10-9-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole?
5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole has a molecular weight of 222.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylpropylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 43408134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).