1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene

C12H18OS — CID 166847942

IUPAC1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
SMILESCCSc1ccc(C(C)COC)cc1
InChIInChI=1S/C12H18OS/c1-4-14-12-7-5-11(6-8-12)10(2)9-13-3/h5-8,10H,4,9H2,1-3H3
InChIKeyKTYBLVIYRPPUNV-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.55
Rot. Bonds5

About 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene

1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene (PubChem CID 166847942) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
PubChem CID166847942
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
SMILESCCSc1ccc(C(C)COC)cc1
InChIInChI=1S/C12H18OS/c1-4-14-12-7-5-11(6-8-12)10(2)9-13-3/h5-8,10H,4,9H2,1-3H3
InChIKeyKTYBLVIYRPPUNV-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195
4-(4-ethylsulfanylphenyl)pentanenitrile
CID 83935864
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene?
The IUPAC name of 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene (CID 166847942) is 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene is CCSc1ccc(C(C)COC)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene?
The InChIKey is KTYBLVIYRPPUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-14-12-7-5-11(6-8-12)10(2)9-13-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene?
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene has a molecular weight of 210.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene is sourced from PubChem (CID 166847942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).