Chelist HOME
Search all list by Chemical ID
Search all list by Chemical Structure
Find the overlap between selected chemical list
Combine chemical list into a custom list
Chelist Moleculee
cas:23564-05-8
einecs:245-740-7
smiles:COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
name:Thiophanate-methyl
MW:342.394
formula:C12H14N4O4S2
InChi:
InChiKey:
SMARTS:
Other names
Methyl thiophanate
thiophanate-methyl
Thiophanate-methyl

Search by similarity
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

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOXCAST PHASE I (320): US EPA ToxCast list - phase I (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)