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

C10H13FOS — CID 78851396

IUPAC4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
SMILESCCSCc1ccc(OC)c(F)c1
InChIInChI=1S/C10H13FOS/c1-3-13-7-8-4-5-10(12-2)9(11)6-8/h4-6H,3,7H2,1-2H3
InChIKeyBBIGHMOKRHEBNH-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.09
Rot. Bonds4

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

4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene (PubChem CID 78851396) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
PubChem CID78851396
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene
SMILESCCSCc1ccc(OC)c(F)c1
InChIInChI=1S/C10H13FOS/c1-3-13-7-8-4-5-10(12-2)9(11)6-8/h4-6H,3,7H2,1-2H3
InChIKeyBBIGHMOKRHEBNH-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]butanenitrile
CID 99831906
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
4-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 106698577
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
N-[[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348431
(3-fluoro-4-methoxyphenyl)methyl N'-tert-butylcarbamimidothioate
CID 8776605
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
3-bromo-4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 82841653
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene (CID 78851396) is 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene is CCSCc1ccc(OC)c(F)c1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene?
The InChIKey is BBIGHMOKRHEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-3-13-7-8-4-5-10(12-2)9(11)6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene?
4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 78851396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).