2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953)

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CHEBI:63953 - 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine

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ChEBI ID	CHEBI:63953
ChEBI Name	2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine
Stars
Definition	A diamino-1,3,5-triazine with the amino groups situated at C-2 and C-4 and with a chloro group at C-6; the amino group at C-4 is substituted with a 2-sulfophenyl group.
Last Modified	20 February 2012
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C9H8ClN5O3S
Net Charge	0
Average Mass	301.715
Monoisotopic Mass	301.00364
SMILES	Nc1nc(Cl)nc(Nc2cccc(S(=O)(=O)O)c2)n1
InChI	InChI=1S/C9H8ClN5O3S/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)19(16,17)18/h1-4H,(H,16,17,18)(H3,11,12,13,14,15)
InChIKey	INKDIXXCRXOUGO-UHFFFAOYSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953) is a arenesulfonic acid (CHEBI:33555)
	2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953) is a diamino-1,3,5-triazine (CHEBI:38170)
	2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953) is conjugate acid of 2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955)
Incoming Relation(s)
	2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine (CHEBI:63955) is conjugate base of 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine (CHEBI:63953)

IUPAC Name
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Synonym	Source
2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine	ChEBI

Citations