1,3-dichloro-2-(ethylsulfanylmethyl)benzene

C9H10Cl2S — CID 59881902

IUPAC1,3-dichloro-2-(ethylsulfanylmethyl)benzene
SMILESCCSCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2S/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5H,2,6H2,1H3
InChIKeyBCGUQOMNNNRTBM-UHFFFAOYSA-N
MW221.15 g/mol
LogP4.25
Rot. Bonds3

About 1,3-dichloro-2-(ethylsulfanylmethyl)benzene

1,3-dichloro-2-(ethylsulfanylmethyl)benzene (PubChem CID 59881902) has the molecular formula C9H10Cl2S and a molecular weight of 221.15 g/mol. Its IUPAC name is 1,3-dichloro-2-(ethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(ethylsulfanylmethyl)benzene
PubChem CID59881902
Molecular FormulaC9H10Cl2S
Molecular Weight221.15 g/mol
Exact Mass219.99
IUPAC Name1,3-dichloro-2-(ethylsulfanylmethyl)benzene
SMILESCCSCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2S/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5H,2,6H2,1H3
InChIKeyBCGUQOMNNNRTBM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
CID 142244239
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065
S-[(2,6-dichlorophenyl)methyl] 3-[(2,6-dichlorophenyl)methylsulfanyl]propanethioate
CID 12816884
4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoic acid
CID 18950329
2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
CID 115659330
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
CID 117220623
1-chloro-2-(3,3-dimethylbutylsulfanylmethyl)-3-fluorobenzene
CID 58974839
1,3-dichloro-2-[4-(4-methylcyclohexyl)butylsulfanylmethyl]benzene
CID 59545405
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
CID 3733113
1-bromo-3-chloro-2-ethylbenzene
CID 54267312

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(ethylsulfanylmethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(ethylsulfanylmethyl)benzene (CID 59881902) is 1,3-dichloro-2-(ethylsulfanylmethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(ethylsulfanylmethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(ethylsulfanylmethyl)benzene is CCSCc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(ethylsulfanylmethyl)benzene?
The InChIKey is BCGUQOMNNNRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2S/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5H,2,6H2,1H3.
What are the key properties of 1,3-dichloro-2-(ethylsulfanylmethyl)benzene?
1,3-dichloro-2-(ethylsulfanylmethyl)benzene has a molecular weight of 221.15 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(ethylsulfanylmethyl)benzene is sourced from PubChem (CID 59881902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).