Basic information
- CAS
10574-69-3- Standard SMILES
O=C1CSC(=S)N1Cc1ccccc1- InChIKey
ZFHVUMCTGGAWBM-UHFFFAOYSA-N- Molecular formula
- C10H9NOS2
- Average molar mass
- 223.3 g/mol
- Monoisotopic mass
- 223.01255591
Names & identifiers
- Preferred name
- 3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
- IUPAC
- 3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-Benzylrhodanine
- Molecular formula
- C10H9NOS2
- Molecular weight
- 223.31
Names & synonyms
3-(Phenylmethyl)-2-thioxo-4-thiazolidinoneRefChem:495835634-650-73-Benzylrhodanine10574-69-33-benzyl-2-thioxothiazolidin-4-oneN-Benzylrhodanine3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-oneRhodanine, 3-benzyl-4-Thiazolidinone, 3-(phenylmethyl)-2-thioxo-3-Benzyl-2-thioxo-1,3-thiazolidin-4-oneMFCD00086924
Show more names
AKOS B029063Benzylrhodanine3-benzyl-rhodanin3-Benzylrhodanine >3-BENZYLRHODANINE 98+%Epalrestat Impurity 30Rhodanine-Related Derivatives 22
NSC 142477BRN 01557183-Benzyl-2-thioxo-4-thiazolidinoneJS97838A2MMaybridge3_0042573-(Phenylmethyl)rhodanide3-Benzyl-2-thioxo-thiazolidin-4-oneMLS002920556
Database identifiers
- CAS
10574-69-3- PubChem CID
- 97673
- DTXSID
DTXSID60147309- ChEMBL
CHEMBL224367
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 89 °C · 89°C
- Boiling point
- 353 · 353.0±35.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -1.79 · -1.79±0.20(Predicted)
- color
- Light yellow to Brown
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 97838 A2M · JS97838A2M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- rtecs
- VI7800000
- hs_code
- 2934100090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers56 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
山东李比希生物医药科技有限公司
Related reactions
4 records
Compound notes
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