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Chelist Moleculee
cas:1003315-69-2
einecs:600-066-6
smiles:CCOC(=O)COc1ccc(Cl)c2C(=O)c3ccccc3Sc12
name:Acetic acid, 2-[(1-chloro-9-oxo-9H-thioxanthen-4-yl)oxy]-, ethyl ester
MW:348.801
formula:C17H13ClO4S
InChi:
InChiKey:
SMARTS:
Other names
ethyl 2-[(1-chloro-9-oxo-9H-thioxanthen-4-yl)oxy]acetate

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Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)