2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline

C9H13Cl2NS — CID 126763671

IUPAC2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(C)(Cl)Cl
InChIInChI=1S/C9H13Cl2NS/c1-12(2)8-6-4-5-7-9(8)13(3,10)11/h4-7H,1-3H3
InChIKeyGVJLCGBTRQSEDG-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.85
Rot. Bonds2

About 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline

2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline (PubChem CID 126763671) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline
PubChem CID126763671
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC Name2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(C)(Cl)Cl
InChIInChI=1S/C9H13Cl2NS/c1-12(2)8-6-4-5-7-9(8)13(3,10)11/h4-7H,1-3H3
InChIKeyGVJLCGBTRQSEDG-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium 2-(dimethylamino)benzenesulfonate
CID 139685266
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 175398117
lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)
CID 87556607
2-methanidyl-N,N-dimethylaniline;titanium(3+)
CID 22399653
bis(manganese(2+));tetrakis(2-methanidyl-N,N-dimethylaniline)
CID 139264400
bis(2-methanidyl-N,N-dimethylaniline);molybdenum(2+)
CID 21399652
chlorogold;[2-(dimethylamino)phenyl]-dimethylphosphanium
CID 176723278
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
ethane;methylphosphane;N,N,2-trimethylaniline
CID 162765401
CID 119078632
CID 119078632

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline?
The IUPAC name of 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline (CID 126763671) is 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline is CN(C)c1ccccc1S(C)(Cl)Cl.
What is the InChIKey of 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline?
The InChIKey is GVJLCGBTRQSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NS/c1-12(2)8-6-4-5-7-9(8)13(3,10)11/h4-7H,1-3H3.
What are the key properties of 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline?
2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline has a molecular weight of 238.18 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(methyl)-λ4-sulfanyl]-N,N-dimethylaniline is sourced from PubChem (CID 126763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).