1,3,5-trichloro-2-methylsulfanylbenzene

C7H5Cl3S — CID 86135617

IUPAC1,3,5-trichloro-2-methylsulfanylbenzene
SMILESCSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3S/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyVIPLIJZPGBVUQA-UHFFFAOYSA-N
MW227.54 g/mol
LogP4.37
Rot. Bonds1

About 1,3,5-trichloro-2-methylsulfanylbenzene

1,3,5-trichloro-2-methylsulfanylbenzene (PubChem CID 86135617) has the molecular formula C7H5Cl3S and a molecular weight of 227.54 g/mol. Its IUPAC name is 1,3,5-trichloro-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-methylsulfanylbenzene
PubChem CID86135617
Molecular FormulaC7H5Cl3S
Molecular Weight227.54 g/mol
Exact Mass225.92
IUPAC Name1,3,5-trichloro-2-methylsulfanylbenzene
SMILESCSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3S/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyVIPLIJZPGBVUQA-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-4-(methylthio)benzene
CID 31243
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
2-Chlorophenyl methyl sulfide
CID 2737363
Benzenethiol, 2,6-dichloro-
CID 90671
Benzene, 1-chloro-4-((chloromethyl)thio)-
CID 23610
1,3,5-Trichloro-(2-methylsulfonyl)benzene
CID 5302365
2,4-Dichlorobenzenethiol
CID 70730
3,5-Dichlorophenyl methyl sulfide
CID 129278
Benzene, 1-chloro-2-(propylthio)-
CID 118702
1-Chloro-4-(isopropylsulfanyl)benzene
CID 5324157
2,4-Bis-(methylthio)-1-chlorobenzene
CID 3493619
1,2,4-Trichloro-5-(methylthio)benzene
CID 77819

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-methylsulfanylbenzene?
The IUPAC name of 1,3,5-trichloro-2-methylsulfanylbenzene (CID 86135617) is 1,3,5-trichloro-2-methylsulfanylbenzene.
What is the SMILES notation for 1,3,5-trichloro-2-methylsulfanylbenzene?
The canonical SMILES for 1,3,5-trichloro-2-methylsulfanylbenzene is CSc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-methylsulfanylbenzene?
The InChIKey is VIPLIJZPGBVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3S/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 1,3,5-trichloro-2-methylsulfanylbenzene?
1,3,5-trichloro-2-methylsulfanylbenzene has a molecular weight of 227.54 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-methylsulfanylbenzene is sourced from PubChem (CID 86135617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).