2-methoxy-1-methylsulfanyl-4-propylbenzene

C11H16OS — CID 91881478

IUPAC2-methoxy-1-methylsulfanyl-4-propylbenzene
SMILESCCCc1ccc(SC)c(OC)c1
InChIInChI=1S/C11H16OS/c1-4-5-9-6-7-11(13-3)10(8-9)12-2/h6-8H,4-5H2,1-3H3
InChIKeyWEJSCVZWDCKMRX-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.37
Rot. Bonds4

About 2-methoxy-1-methylsulfanyl-4-propylbenzene

2-methoxy-1-methylsulfanyl-4-propylbenzene (PubChem CID 91881478) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-methoxy-1-methylsulfanyl-4-propylbenzene.

Molecular Properties

Compound Name2-methoxy-1-methylsulfanyl-4-propylbenzene
PubChem CID91881478
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-methoxy-1-methylsulfanyl-4-propylbenzene
SMILESCCCc1ccc(SC)c(OC)c1
InChIInChI=1S/C11H16OS/c1-4-5-9-6-7-11(13-3)10(8-9)12-2/h6-8H,4-5H2,1-3H3
InChIKeyWEJSCVZWDCKMRX-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol
CID 111456696
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
ethane;2-methoxy-N-methyl-4-propylaniline
CID 156712909
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylsulfanyl-4-propylbenzene?
The IUPAC name of 2-methoxy-1-methylsulfanyl-4-propylbenzene (CID 91881478) is 2-methoxy-1-methylsulfanyl-4-propylbenzene.
What is the SMILES notation for 2-methoxy-1-methylsulfanyl-4-propylbenzene?
The canonical SMILES for 2-methoxy-1-methylsulfanyl-4-propylbenzene is CCCc1ccc(SC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-methylsulfanyl-4-propylbenzene?
The InChIKey is WEJSCVZWDCKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-4-5-9-6-7-11(13-3)10(8-9)12-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1-methylsulfanyl-4-propylbenzene?
2-methoxy-1-methylsulfanyl-4-propylbenzene has a molecular weight of 196.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylsulfanyl-4-propylbenzene is sourced from PubChem (CID 91881478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).