4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene

C10H13BrOS — CID 117219861

IUPAC4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene
SMILESCCSCc1ccc(Br)cc1OC
InChIInChI=1S/C10H13BrOS/c1-3-13-7-8-4-5-9(11)6-10(8)12-2/h4-6H,3,7H2,1-2H3
InChIKeyVKHWZTTYYNYJKW-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene

4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene (PubChem CID 117219861) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene.

Molecular Properties

Compound Name4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene
PubChem CID117219861
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene
SMILESCCSCc1ccc(Br)cc1OC
InChIInChI=1S/C10H13BrOS/c1-3-13-7-8-4-5-9(11)6-10(8)12-2/h4-6H,3,7H2,1-2H3
InChIKeyVKHWZTTYYNYJKW-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene?
The IUPAC name of 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene (CID 117219861) is 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene.
What is the SMILES notation for 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene?
The canonical SMILES for 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene is CCSCc1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene?
The InChIKey is VKHWZTTYYNYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-3-13-7-8-4-5-9(11)6-10(8)12-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene?
4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene has a molecular weight of 261.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene is sourced from PubChem (CID 117219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).