4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine

C11H16ClNS — CID 127002529

IUPAC4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine
SMILESCc1cc(SC(C)(C)CCl)cc(C)n1
InChIInChI=1S/C11H16ClNS/c1-8-5-10(6-9(2)13-8)14-11(3,4)7-12/h5-6H,7H2,1-4H3
InChIKeyDINGDTSWMXCZIG-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.81
Rot. Bonds3

About 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine

4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine (PubChem CID 127002529) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine
PubChem CID127002529
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine
SMILESCc1cc(SC(C)(C)CCl)cc(C)n1
InChIInChI=1S/C11H16ClNS/c1-8-5-10(6-9(2)13-8)14-11(3,4)7-12/h5-6H,7H2,1-4H3
InChIKeyDINGDTSWMXCZIG-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-chloro-2-methylpropan-2-yl)sulfanyl-5-methylpyridazine
CID 131107869
5-(1-chloro-2-methylpropan-2-yl)sulfanyl-1,2,4-thiadiazole
CID 127002515
2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine
CID 13092981
N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 65028293
3-tert-butyl-2,4-dichloro-6-methylpyridine
CID 59866073
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
2,6-dimethyl-4-(methylsulfanylmethyl)pyridine
CID 131017484
sulfane;2,4,6-trimethylpyridine
CID 69294176
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
6-methyl-4-methylsulfanylpyridine-2-carbonitrile
CID 131115286
N-(2-chloro-4,4-dimethylpentyl)-4,6-dimethylpyrimidin-2-amine
CID 107156052
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
CID 81229065

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine?
The IUPAC name of 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine (CID 127002529) is 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine.
What is the SMILES notation for 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine?
The canonical SMILES for 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine is Cc1cc(SC(C)(C)CCl)cc(C)n1.
What is the InChIKey of 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine?
The InChIKey is DINGDTSWMXCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8-5-10(6-9(2)13-8)14-11(3,4)7-12/h5-6H,7H2,1-4H3.
What are the key properties of 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine?
4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine has a molecular weight of 229.78 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-methylpropan-2-yl)sulfanyl-2,6-dimethylpyridine is sourced from PubChem (CID 127002529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).