2D0

4-chloro-1,3-benzothiazol-2-amine

Created:	2013-09-23
Last modified:	2014-05-14

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2 entries where 2D0 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 2D0

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Chemical Component Summary
Name	4-chloro-1,3-benzothiazol-2-amine
Systematic Name (OpenEye OEToolkits)	4-chloranyl-1,3-benzothiazol-2-amine
Formula	C₇ H₅ Cl N₂ S
Molecular Weight	184.646
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2cccc1sc(nc12)N
SMILES	CACTVS	3.385	Nc1sc2cccc(Cl)c2n1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)Cl)nc(s2)N
Canonical SMILES	CACTVS	3.385	Nc1sc2cccc(Cl)c2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)Cl)nc(s2)N
InChI	InChI	1.03	InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey	InChI	1.03	OEQQFQXMCPMEIH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	29872
ChEMBL	CHEMBL1413383
CCDC/CSD	LATZIT

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