3-[(4-Methylphenyl)thio]-5-nitroaniline - CAS 438217-89-1

Catalog:	BB045252
Product Name:	3-[(4-Methylphenyl)thio]-5-nitroaniline
CAS:	438217-89-1
Synonyms:	5-(4-methylphenylthio)-3-nitrophenylamine; 3-Nitro-5-(p-tolylthio)aniline

Technical Data

Computed Properties

IUPAC Name:	3-(4-methylphenyl)sulfanyl-5-nitroaniline
Description:	3-[(4-Methylphenyl)thio]-5-nitroaniline (CAS# 438217-89-1 ) is a useful research chemical.
Molecular Weight:	260.31
Molecular Formula:	C13H12N2O2S
Canonical SMILES:	CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N
InChI:	InChI=1S/C13H12N2O2S/c1-9-2-4-12(5-3-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,14H2,1H3
InChI Key:	ULHRWSHZTLQPLA-UHFFFAOYSA-N
Boiling Point:	476.8±40.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.0619488
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.0619488
Rotatable Bond Count:	2
Topological Polar Surface Area:	97.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5