2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline

C10H11Cl2NS — CID 79172755

IUPAC2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline
SMILESCc1cccc(SCC(Cl)=CCl)c1N
InChIInChI=1S/C10H11Cl2NS/c1-7-3-2-4-9(10(7)13)14-6-8(12)5-11/h2-5H,6,13H2,1H3
InChIKeyDUYJZFSQWKWTCV-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.99
Rot. Bonds3

About 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline

2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline (PubChem CID 79172755) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline
PubChem CID79172755
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC Name2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline
SMILESCc1cccc(SCC(Cl)=CCl)c1N
InChIInChI=1S/C10H11Cl2NS/c1-7-3-2-4-9(10(7)13)14-6-8(12)5-11/h2-5H,6,13H2,1H3
InChIKeyDUYJZFSQWKWTCV-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 79147428
5-bromo-2-(2,3-dichloroprop-2-enylsulfanyl)aniline
CID 79172954
tert-butyl 2-(2-amino-3-methylphenyl)sulfanylacetate
CID 79147155
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79146565
2-methyl-6-pent-4-enylsulfanylaniline
CID 79146389
2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline
CID 79147212
1-(2-amino-3-methylphenyl)sulfanyl-2-methylbutan-2-ol
CID 114494332
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylaniline
CID 79146462

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline?
The IUPAC name of 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline (CID 79172755) is 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline?
The canonical SMILES for 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline is Cc1cccc(SCC(Cl)=CCl)c1N.
What is the InChIKey of 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline?
The InChIKey is DUYJZFSQWKWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c1-7-3-2-4-9(10(7)13)14-6-8(12)5-11/h2-5H,6,13H2,1H3.
What are the key properties of 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline?
2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline has a molecular weight of 248.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enylsulfanyl)-6-methylaniline is sourced from PubChem (CID 79172755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).