ABV

1,3-benzothiazol-2-amine

Created:	2010-04-12
Last modified:	2020-06-05

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5 entries where ABV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of ABV

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Chemical Component Summary
Name	1,3-benzothiazol-2-amine
Synonyms	2-Aminobenzothiazole
Systematic Name (OpenEye OEToolkits)	1,3-benzothiazol-2-amine
Formula	C₇ H₆ N₂ S
Molecular Weight	150.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c2ccccc2sc1N
SMILES	CACTVS	3.370	Nc1sc2ccccc2n1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(s2)N
Canonical SMILES	CACTVS	3.370	Nc1sc2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(s2)N
InChI	InChI	1.03	InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey	InChI	1.03	UHGULLIUJBCTEF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8706
ChEMBL	CHEMBL329785
CCDC/CSD	LIGNIB, JAHYUP, LIGPOJ, LIGNAT, GUFDOB, LEXQOW, HALHOT, CAJWUG01, ACEMEB, LIGPAV, LIGNOH, JOLJID, CAJWUG02, EHETOD
COD	2222772, 1561076

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