2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene

C12H18OS — CID 153335251

IUPAC2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene
SMILESCSc1cc(C)cc(OC(C)C)c1C
InChIInChI=1S/C12H18OS/c1-8(2)13-11-6-9(3)7-12(14-5)10(11)4/h6-8H,1-5H3
InChIKeyDZGJRSIWIGSVOD-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.81
Rot. Bonds3

About 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene

2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene (PubChem CID 153335251) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene
PubChem CID153335251
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene
SMILESCSc1cc(C)cc(OC(C)C)c1C
InChIInChI=1S/C12H18OS/c1-8(2)13-11-6-9(3)7-12(14-5)10(11)4/h6-8H,1-5H3
InChIKeyDZGJRSIWIGSVOD-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
CID 164893503
1-iodo-4-methyl-2-propan-2-yloxybenzene
CID 164893598
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
CID 171366460
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
2-ethyl-3,6-dimethyl-4-propan-2-yloxyphenol
CID 162375132
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
CID 122674449

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene?
The IUPAC name of 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene (CID 153335251) is 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene.
What is the SMILES notation for 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene?
The canonical SMILES for 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene is CSc1cc(C)cc(OC(C)C)c1C.
What is the InChIKey of 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene?
The InChIKey is DZGJRSIWIGSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-8(2)13-11-6-9(3)7-12(14-5)10(11)4/h6-8H,1-5H3.
What are the key properties of 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene?
2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene has a molecular weight of 210.34 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 2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene is sourced from PubChem (CID 153335251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).