2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline

C10H14ClNS — CID 145156004

IUPAC2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=S(C)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C10H14ClNS/c1-7-5-8(2)10(9(11)6-7)12-13(3)4/h5-6,12H,3H2,1-2,4H3
InChIKeyQQQQZMLGFGTBLZ-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.61
Rot. Bonds2

About 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline

2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline (PubChem CID 145156004) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
PubChem CID145156004
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=S(C)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C10H14ClNS/c1-7-5-8(2)10(9(11)6-7)12-13(3)4/h5-6,12H,3H2,1-2,4H3
InChIKeyQQQQZMLGFGTBLZ-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,6-dimethylphenyl)cyanamide
CID 117027810
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
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2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5012399
4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
CID 1238732
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The IUPAC name of 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline (CID 145156004) is 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline.
What is the SMILES notation for 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The canonical SMILES for 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline is C=S(C)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
The InChIKey is QQQQZMLGFGTBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7-5-8(2)10(9(11)6-7)12-13(3)4/h5-6,12H,3H2,1-2,4H3.
What are the key properties of 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline?
2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline has a molecular weight of 215.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline is sourced from PubChem (CID 145156004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).