N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline

C15H17N3S — CID 145427736

IUPACN,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
SMILESCSc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C15H17N3S/c1-18(2)14-8-4-12(5-9-14)16-17-13-6-10-15(19-3)11-7-13/h4-11H,1-3H3/b17-16+
InChIKeyQERXZCRRBMTRDP-WUKNDPDISA-N
MW271.39 g/mol
LogP4.89
Rot. Bonds4

About N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline

N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline (PubChem CID 145427736) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
PubChem CID145427736
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
SMILESCSc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C15H17N3S/c1-18(2)14-8-4-12(5-9-14)16-17-13-6-10-15(19-3)11-7-13/h4-11H,1-3H3/b17-16+
InChIKeyQERXZCRRBMTRDP-WUKNDPDISA-N
XLogP4.89
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline 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

(4-methylsulfanylphenyl)-phenyldiazene
CID 23247472
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
N,N-dimethyl-4-[[4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]diazenyl]aniline
CID 20761070
(4-methylsulfanylphenyl)-(1-oxidopyridin-1-ium-4-yl)diazene
CID 127243717
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
1-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990
4-[[4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]-2,3,5,6-tetrafluorophenyl]sulfanylethylsulfanyl]-2,3,5,6-tetrafluorophenyl]diazenyl]-N,N-dimethylaniline
CID 101152987
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinate
CID 18548168
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
CID 23806

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline (CID 145427736) is N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline is CSc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline?
The InChIKey is QERXZCRRBMTRDP-WUKNDPDISA-N. The full InChI is InChI=1S/C15H17N3S/c1-18(2)14-8-4-12(5-9-14)16-17-13-6-10-15(19-3)11-7-13/h4-11H,1-3H3/b17-16+.
What are the key properties of N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline?
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline has a molecular weight of 271.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline is sourced from PubChem (CID 145427736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).