1-ethoxy-2-(methylsulfanylmethyl)benzene

C10H14OS — CID 130225008

IUPAC1-ethoxy-2-(methylsulfanylmethyl)benzene
SMILESCCOc1ccccc1CSC
InChIInChI=1S/C10H14OS/c1-3-11-10-7-5-4-6-9(10)8-12-2/h4-7H,3,8H2,1-2H3
InChIKeyJMFRWZKTXWPLMS-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.95
Rot. Bonds4

About 1-ethoxy-2-(methylsulfanylmethyl)benzene

1-ethoxy-2-(methylsulfanylmethyl)benzene (PubChem CID 130225008) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-ethoxy-2-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-(methylsulfanylmethyl)benzene
PubChem CID130225008
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-ethoxy-2-(methylsulfanylmethyl)benzene
SMILESCCOc1ccccc1CSC
InChIInChI=1S/C10H14OS/c1-3-11-10-7-5-4-6-9(10)8-12-2/h4-7H,3,8H2,1-2H3
InChIKeyJMFRWZKTXWPLMS-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butylsulfanylmethyl)-2-ethoxybenzene
CID 112781326
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid
CID 43091577
2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
CID 66220330
3-[(2-ethoxyphenyl)methylsulfanyl]butan-1-ol
CID 66138593
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
(2-ethoxyphenyl)methyldiazene
CID 123983555
2-[(2-ethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79143702
2-[(2-ethoxyphenyl)methylsulfanyl]-5-fluoroaniline
CID 43303935
4-[(2-ethoxyphenyl)methylsulfanyl]benzoic acid
CID 43352356
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
1-decyl-2-ethoxybenzene
CID 175243335

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(methylsulfanylmethyl)benzene?
The IUPAC name of 1-ethoxy-2-(methylsulfanylmethyl)benzene (CID 130225008) is 1-ethoxy-2-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1-ethoxy-2-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1-ethoxy-2-(methylsulfanylmethyl)benzene is CCOc1ccccc1CSC.
What is the InChIKey of 1-ethoxy-2-(methylsulfanylmethyl)benzene?
The InChIKey is JMFRWZKTXWPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-11-10-7-5-4-6-9(10)8-12-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethoxy-2-(methylsulfanylmethyl)benzene?
1-ethoxy-2-(methylsulfanylmethyl)benzene has a molecular weight of 182.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 130225008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).