2-chloro-1-ethylsulfanyl-3-methoxybenzene

C9H11ClOS — CID 91876115

IUPAC2-chloro-1-ethylsulfanyl-3-methoxybenzene
SMILESCCSc1cccc(OC)c1Cl
InChIInChI=1S/C9H11ClOS/c1-3-12-8-6-4-5-7(11-2)9(8)10/h4-6H,3H2,1-2H3
InChIKeyRLNNNIHDHCIUEW-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-1-ethylsulfanyl-3-methoxybenzene

2-chloro-1-ethylsulfanyl-3-methoxybenzene (PubChem CID 91876115) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 2-chloro-1-ethylsulfanyl-3-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-ethylsulfanyl-3-methoxybenzene
PubChem CID91876115
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name2-chloro-1-ethylsulfanyl-3-methoxybenzene
SMILESCCSc1cccc(OC)c1Cl
InChIInChI=1S/C9H11ClOS/c1-3-12-8-6-4-5-7(11-2)9(8)10/h4-6H,3H2,1-2H3
InChIKeyRLNNNIHDHCIUEW-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-ethylsulfanyl-2-methoxybenzene
CID 91875889
2-ethylsulfanyl-1,3-dimethoxybenzene
CID 12913383
1-bromo-2-chloro-3-ethylsulfanylbenzene
CID 91875923
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
S-(2-chloro-3-methoxyphenyl) N,N-dimethylcarbamothioate
CID 13290188
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
1-(2-chloro-3-methoxyphenyl)butan-1-amine
CID 86262887
1-benzylsulfanyl-2,3-dichloro-4-methoxybenzene
CID 13290193
(2-chloro-3-methoxyphenyl)hydrazine;hydrochloride
CID 138619789
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethylsulfanyl-3-methoxybenzene?
The IUPAC name of 2-chloro-1-ethylsulfanyl-3-methoxybenzene (CID 91876115) is 2-chloro-1-ethylsulfanyl-3-methoxybenzene.
What is the SMILES notation for 2-chloro-1-ethylsulfanyl-3-methoxybenzene?
The canonical SMILES for 2-chloro-1-ethylsulfanyl-3-methoxybenzene is CCSc1cccc(OC)c1Cl.
What is the InChIKey of 2-chloro-1-ethylsulfanyl-3-methoxybenzene?
The InChIKey is RLNNNIHDHCIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-3-12-8-6-4-5-7(11-2)9(8)10/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-1-ethylsulfanyl-3-methoxybenzene?
2-chloro-1-ethylsulfanyl-3-methoxybenzene has a molecular weight of 202.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethylsulfanyl-3-methoxybenzene is sourced from PubChem (CID 91876115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).