1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene

C9H10Cl2O2S — CID 86189494

IUPAC1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
SMILESCOc1cc(Cl)c(OC)c(SC)c1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3
InChIKeyWYMGMGJABKEWGC-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.73
Rot. Bonds3

About 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene

1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene (PubChem CID 86189494) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
PubChem CID86189494
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
SMILESCOc1cc(Cl)c(OC)c(SC)c1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3
InChIKeyWYMGMGJABKEWGC-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
CID 164892037
1-bromo-4-chloro-3-methoxy-2-methylsulfanylbenzene
CID 131308860
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
(2,6-dichloro-3,5-dimethoxyphenyl) thiocyanate
CID 126656983
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
6,7-dichloro-1,4,9,10-tetramethoxyanthracene
CID 139930251
5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
CID 71372234

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene?
The IUPAC name of 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene (CID 86189494) is 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene.
What is the SMILES notation for 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene?
The canonical SMILES for 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene is COc1cc(Cl)c(OC)c(SC)c1Cl.
What is the InChIKey of 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene?
The InChIKey is WYMGMGJABKEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3.
What are the key properties of 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene?
1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene has a molecular weight of 253.15 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene is sourced from PubChem (CID 86189494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).