4-(4-(2-Thienyl)pyrimidin-2-ylthio)phenylamine - CAS 1245806-62-5

Catalog:	BB053299
Product Name:	4-(4-(2-Thienyl)pyrimidin-2-ylthio)phenylamine
CAS:	1245806-62-5
Synonyms:	4-((4-(Thiophen-2-yl)pyrimidin-2-yl)thio)aniline; 4-[(4-thien-2-ylpyrimidin-2-yl)thio]aniline

Technical Data

Computed Properties

IUPAC Name:	4-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylaniline
Molecular Weight:	285.4
Molecular Formula:	C14H11N3S2
Canonical SMILES:	C1=CSC(=C1)C2=NC(=NC=C2)SC3=CC=C(C=C3)N
InChI:	InChI=1S/C14H11N3S2/c15-10-3-5-11(6-4-10)19-14-16-8-7-12(17-14)13-2-1-9-18-13/h1-9H,15H2
InChI Key:	NCRJZGREZRXKDY-UHFFFAOYSA-N
Boiling Point:	550.8±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Amines and Anilines

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[4815-36-5]
Ethyl 2-amino-4-phenylthiophene-3-carboxylate

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.03943971
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.03943971
Rotatable Bond Count:	3
Topological Polar Surface Area:	105
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3