Chelist Moleculee
JRC CODE:JRC-000168
cas:51-52-5
einecs:200-103-2
smiles:CCCc1cc(=O)[nH]c(=S)[nH]1
name:Propylthiouracil
MW:170.232
formula:C7H10N2OS
InChi:
InChiKey:
SMARTS:
Other names
4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-
Uracil, 6-propyl-2-thio- (7CI,8CI)
2-Mercapto-4-hydroxy-6-n-propylpyrimidine
2-Mercapto-4-hydroxy-6-propylpyrimidine
2-Mercapto-6-propylpyrimidin-4-ol
2-Thio-4-oxo-6-propyl-1,3-pyrimidine
2-Thio-6-propyl-1,3-pyrimidin-4-one
6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione
6-Propyl-2-thiouracil
6-Propyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
6-Propylthiouracil
6-n-Propyl-2-thiouracil
6-n-Propylthiouracil
NSC 6498
NSC 70461
PTU
PTU (thyreostatic)
Procasil
Propacil
Propycil
Propyl-Thiorist
Propyl-Thyracil
Propylthiorit
Propylthiouracil
Prothiucil
Prothiurone
Prothycil
Prothyran
Protiural
Thiuragyl
Thyreostat II

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

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
DNT list (71): A database of developmental neurotoxicants (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)