T1N

(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid

Created:	2010-07-07
Last modified:	2011-06-04

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1 entries where T1N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of T1N

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Chemical Component Summary
Name	(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-(6-methylsulfanylnaphthalen-2-yl)propanoic acid
Formula	C₁₄ H₁₄ O₂ S
Molecular Weight	246.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C
SMILES	CACTVS	3.370	CSc1ccc2cc(ccc2c1)[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(c1ccc2cc(ccc2c1)SC)C(=O)O
Canonical SMILES	CACTVS	3.370	CSc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKey	InChI	1.03	DZFJDDMBLJXLJL-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	46861569

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