4-ethylsulfanyl-2-methoxy-1-methylbenzene

C10H14OS — CID 91876133

IUPAC4-ethylsulfanyl-2-methoxy-1-methylbenzene
SMILESCCSc1ccc(C)c(OC)c1
InChIInChI=1S/C10H14OS/c1-4-12-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3
InChIKeyIQQRJNABXSEDMB-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.12
Rot. Bonds3

About 4-ethylsulfanyl-2-methoxy-1-methylbenzene

4-ethylsulfanyl-2-methoxy-1-methylbenzene (PubChem CID 91876133) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methoxy-1-methylbenzene
PubChem CID91876133
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name4-ethylsulfanyl-2-methoxy-1-methylbenzene
SMILESCCSc1ccc(C)c(OC)c1
InChIInChI=1S/C10H14OS/c1-4-12-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3
InChIKeyIQQRJNABXSEDMB-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene
CID 143026754
4-ethylsulfanyl-2-iodo-1-methylbenzene
CID 91875999
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
5-ethylsulfanyl-2-methoxybenzoic acid;methanamine
CID 166157652
4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
CID 91876360
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-methoxy-1-methylbenzene?
The IUPAC name of 4-ethylsulfanyl-2-methoxy-1-methylbenzene (CID 91876133) is 4-ethylsulfanyl-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-ethylsulfanyl-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-ethylsulfanyl-2-methoxy-1-methylbenzene is CCSc1ccc(C)c(OC)c1.
What is the InChIKey of 4-ethylsulfanyl-2-methoxy-1-methylbenzene?
The InChIKey is IQQRJNABXSEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-4-12-9-6-5-8(2)10(7-9)11-3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-2-methoxy-1-methylbenzene?
4-ethylsulfanyl-2-methoxy-1-methylbenzene has a molecular weight of 182.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methoxy-1-methylbenzene is sourced from PubChem (CID 91876133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).