A1AVN

1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one

Created:	2024-06-20
Last modified:	2024-09-11

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1 entries where A1AVN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of A1AVN

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Chemical Component Summary
Name	1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[3-(2-azanylethyl)phenyl]-2-sulfanyl-ethanone
Formula	C₁₀ H₁₃ N O S
Molecular Weight	195.281
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCCc1cccc(c1)C(=O)CS
SMILES	CACTVS	3.385	NCCc1cccc(c1)C(=O)CS
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(=O)CS)CCN
Canonical SMILES	CACTVS	3.385	NCCc1cccc(c1)C(=O)CS
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(=O)CS)CCN
InChI	InChI	1.06	InChI=1S/C10H13NOS/c11-5-4-8-2-1-3-9(6-8)10(12)7-13/h1-3,6,13H,4-5,7,11H2
InChIKey	InChI	1.06	YLYPEWQEFJSWJB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	171934738

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