Mirin
Basic information
- CAS
1198097-97-0- Standard SMILES
NC1=NC(=O)/C(=C/c2ccc(O)cc2)S1- InChIKey
YBHQCJILTOVLHD-YVMONPNESA-N- Molecular formula
- C10H8N2O2S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.03064868
Overview
Mirin is a member of phenols.
Names & identifiers
- Preferred name
- Mirin
- IUPAC
- (5Z)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
- English name
- Mirin
- Molecular formula
- C10H8N2O2S
- Molecular weight
- 220.25
Names & synonyms
299953-00-7DTXSID20334359RefChem:159046DTXCID30285449878-772-01198097-97-02-Amino-5-((4-hydroxyphenyl)methylene)-4(5H)-thiazolone2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thiazoloneMIRINYBHQCJILTOVLHD-YVMONPNESA-N(Z)-MirinZ-5-(4-Hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
Show more names
CS-2593(Z)-Mirin, 10 mM in DMSO(Z)-Mirin,Inhibitor,(Z)Mirin,(Z) Mirin,inhibit(Z)-2-Amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one(5Z)-2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thiazolone4(5H)-Thiazolone, 2-amino-5-[(4-hydroxyphenyl)methylene]-, (5Z)-(5Z) -2-amino-5- [(4-hydroxyphenyl) methylene] -4 (5H) - thiazolidone
(5Z)-2-amino-5-[(4-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one(Z)-5-(4-Hydroxybenzylidene)-2-iminothiazolidin-4-oneSCHEMBL15421605CHEBI:188315HMS3648I06EX-A2499Mirin, >=98% (HPLC), powderBDBM50659235
Database identifiers
- CAS
1198097-97-0、299953-00-7- PubChem CID
- 1206243
- ChEMBL
CHEMBL570841- ChEBI
CHEBI:188315- EC Number
- 683-709-3、878-772-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 441.6 · 441.6±55.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O; · insoluble in EtOH; insoluble in H2O; ≥9.3 mg/mL in DMSO
- form
- solid
- pka
- 8.7 · 8.70±0.30(Predicted)
- color
- Light yellow to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesMirin is an MRN-ATM pathway inhibitor blocking 3’ and 5’ exonuclease activity associated with Mre11, inducing G2 cell cycle arrest.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…