A1ASK

N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea

Created:	2024-05-16
Last modified:	2024-07-31

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1 entries where A1ASK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of A1ASK

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Chemical Component Summary
Name	N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea
Systematic Name (OpenEye OEToolkits)	1-[2-(dimethylamino)ethyl]-3-(3-methylphenyl)thiourea
Formula	C₁₂ H₁₉ N₃ S
Molecular Weight	237.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C(Nc1cc(C)ccc1)NCCN(C)C
SMILES	CACTVS	3.385	CN(C)CCNC(=S)Nc1cccc(C)c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)NC(=S)NCCN(C)C
Canonical SMILES	CACTVS	3.385	CN(C)CCNC(=S)Nc1cccc(C)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)NC(=S)NCCN(C)C
InChI	InChI	1.06	InChI=1S/C12H19N3S/c1-10-5-4-6-11(9-10)14-12(16)13-7-8-15(2)3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16)
InChIKey	InChI	1.06	UJWWMHIPDGVAFU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	895854

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