1,3-dichloro-2-[(S)-methylsulfinyl]benzene

C7H6Cl2OS — CID 95212287

IUPAC1,3-dichloro-2-[(S)-methylsulfinyl]benzene
SMILESC[S@](=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-11(10)7-5(8)3-2-4-6(7)9/h2-4H,1H3/t11-/m0/s1
InChIKeyFERWOIZMUYDQAV-NSHDSACASA-N
MW209.10 g/mol
LogP2.73
Rot. Bonds1

About 1,3-dichloro-2-[(S)-methylsulfinyl]benzene

1,3-dichloro-2-[(S)-methylsulfinyl]benzene (PubChem CID 95212287) has the molecular formula C7H6Cl2OS and a molecular weight of 209.10 g/mol. Its IUPAC name is 1,3-dichloro-2-[(S)-methylsulfinyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(S)-methylsulfinyl]benzene
PubChem CID95212287
Molecular FormulaC7H6Cl2OS
Molecular Weight209.10 g/mol
Exact Mass207.95
IUPAC Name1,3-dichloro-2-[(S)-methylsulfinyl]benzene
SMILESC[S@](=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-11(10)7-5(8)3-2-4-6(7)9/h2-4H,1H3/t11-/m0/s1
InChIKeyFERWOIZMUYDQAV-NSHDSACASA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichlorobenzenesulfinic acid
CID 13381876
sodium 2,6-dichlorobenzenesulfinate
CID 18345412
1,2,3-tris(methylsulfinyl)benzene
CID 18707368
2-chloro-6-methylbenzenesulfinate
CID 57032753
4-(3-chloro-2-methylsulfinylphenyl)-2-fluoroaniline
CID 171455809
N-[3-chloro-2-[(S)-methylsulfinyl]phenyl]-2-fluorobenzamide
CID 95786792
1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
CID 115477642
3-chloro-2-propylsulfinylaniline
CID 81185466
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
(4-chloro-1-methylsulfinylnaphthalen-2-yl)boronic acid
CID 156806583
3,4-dichloro-2-methylsulfinylbenzoyl chloride
CID 174353763

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(S)-methylsulfinyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(S)-methylsulfinyl]benzene (CID 95212287) is 1,3-dichloro-2-[(S)-methylsulfinyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(S)-methylsulfinyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(S)-methylsulfinyl]benzene is C[S@](=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[(S)-methylsulfinyl]benzene?
The InChIKey is FERWOIZMUYDQAV-NSHDSACASA-N. The full InChI is InChI=1S/C7H6Cl2OS/c1-11(10)7-5(8)3-2-4-6(7)9/h2-4H,1H3/t11-/m0/s1.
What are the key properties of 1,3-dichloro-2-[(S)-methylsulfinyl]benzene?
1,3-dichloro-2-[(S)-methylsulfinyl]benzene has a molecular weight of 209.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(S)-methylsulfinyl]benzene is sourced from PubChem (CID 95212287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).