4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene

C13H20OS — CID 170743959

IUPAC4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(SCC(C)(C)C)cc1C
InChIInChI=1S/C13H20OS/c1-10-8-11(6-7-12(10)14-5)15-9-13(2,3)4/h6-8H,9H2,1-5H3
InChIKeyCUKTYXSHIBZMOR-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.14
Rot. Bonds3

About 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene

4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene (PubChem CID 170743959) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
PubChem CID170743959
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(SCC(C)(C)C)cc1C
InChIInChI=1S/C13H20OS/c1-10-8-11(6-7-12(10)14-5)15-9-13(2,3)4/h6-8H,9H2,1-5H3
InChIKeyCUKTYXSHIBZMOR-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
S-(4-methoxy-3-methylphenyl) methanethioate
CID 117033657
2-(4-methoxy-3-methylphenyl)sulfanyl-3-methylbutanenitrile
CID 117035623
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035507
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
2-(4-methoxy-3-methylphenyl)sulfanylbutanoic acid
CID 117035324
ethyl (4-methoxy-3-methylphenyl)sulfanylformate
CID 117035892

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene?
The IUPAC name of 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene (CID 170743959) is 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene is COc1ccc(SCC(C)(C)C)cc1C.
What is the InChIKey of 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene?
The InChIKey is CUKTYXSHIBZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-10-8-11(6-7-12(10)14-5)15-9-13(2,3)4/h6-8H,9H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene?
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene has a molecular weight of 224.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene is sourced from PubChem (CID 170743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).