1,4-dichloro-2,3-bis(methylsulfanyl)benzene

C8H8Cl2S2 — CID 129229080

IUPAC1,4-dichloro-2,3-bis(methylsulfanyl)benzene
SMILESCSc1c(Cl)ccc(Cl)c1SC
InChIInChI=1S/C8H8Cl2S2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyIYDDXVOWIOVWLJ-UHFFFAOYSA-N
MW239.19 g/mol
LogP4.44
Rot. Bonds2

About 1,4-dichloro-2,3-bis(methylsulfanyl)benzene

1,4-dichloro-2,3-bis(methylsulfanyl)benzene (PubChem CID 129229080) has the molecular formula C8H8Cl2S2 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1,4-dichloro-2,3-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2,3-bis(methylsulfanyl)benzene
PubChem CID129229080
Molecular FormulaC8H8Cl2S2
Molecular Weight239.19 g/mol
Exact Mass237.94
IUPAC Name1,4-dichloro-2,3-bis(methylsulfanyl)benzene
SMILESCSc1c(Cl)ccc(Cl)c1SC
InChIInChI=1S/C8H8Cl2S2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyIYDDXVOWIOVWLJ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-methyl-3-methylsulfanylbenzene
CID 91881184
1-chloro-3-fluoro-2,4-bis(methylsulfanyl)benzene
CID 171366507
3-chloro-6-iodo-2-methylsulfanylphenol
CID 171368115
(4-chloro-2-fluoro-3-methylsulfanylphenyl)boronic acid
CID 66954319
2,4-dichloro-3-methylsulfanylbenzoic acid
CID 151077438
4-chloro-2-fluoro-3-methylsulfanylbenzoic acid
CID 54132041
1-bromo-4-chloro-2-ethynyl-3-methylsulfanylbenzene
CID 156845603
4-chloro-2-hydroxy-3-methylsulfanylbenzaldehyde
CID 171368183
1,3,5-trichloro-2-methylsulfanylbenzene
CID 86135617
1-chloro-2-methylsulfanyl-3-propan-2-ylbenzene
CID 142329867
1-chloro-3-methyl-2-methylsulfanylbenzene;propane
CID 144523197
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2,3-bis(methylsulfanyl)benzene?
The IUPAC name of 1,4-dichloro-2,3-bis(methylsulfanyl)benzene (CID 129229080) is 1,4-dichloro-2,3-bis(methylsulfanyl)benzene.
What is the SMILES notation for 1,4-dichloro-2,3-bis(methylsulfanyl)benzene?
The canonical SMILES for 1,4-dichloro-2,3-bis(methylsulfanyl)benzene is CSc1c(Cl)ccc(Cl)c1SC.
What is the InChIKey of 1,4-dichloro-2,3-bis(methylsulfanyl)benzene?
The InChIKey is IYDDXVOWIOVWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2S2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3.
What are the key properties of 1,4-dichloro-2,3-bis(methylsulfanyl)benzene?
1,4-dichloro-2,3-bis(methylsulfanyl)benzene has a molecular weight of 239.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,3-bis(methylsulfanyl)benzene is sourced from PubChem (CID 129229080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).