Basic information
- CAS
42607-21-6- Standard SMILES
O=C(O)C1CSC(c2ccccc2)N1- InChIKey
AZDYQBFYMBALBY-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.05104959
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 2-Phenylthiazolidine-4-carboxylic acid
- IUPAC
- 2-phenyl-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-Phenyl-1,3-thiazolane-4-carboxylic acid
- Molecular formula
- C10H11NO2S
- Molecular weight
- 209.26
Names & synonyms
42607-21-62-Phenylthiazolidine-4-carboxylic acid2-Phenyl-4-thiazolidine-4-carboxylic acidDTXSID701284363RefChem:89113DTXCID308931042-Phenyl-1,3-thiazolidine-4-carboxylic acid2-phenyl-1,3-thiazolane-4-carboxylic acid4-Carboxy-2-phenylthiazolidine2-Phenyl-4-thiazolidinecarboxylic acid4-THIAZOLIDINECARBOXYLIC ACID, 2-PHENYL-4-Thiazolidinecarboxylic acid 2-phenyl-
Show more names
2-phenyl-4-thiazolidinecarboxylicaci2-phenyl-4-thiazolidinecarboxylicacid2-Phenylthiazolidine-4-carboxylicacid,97%R-2-PHENYL-THIAZOLIDINE-4-CARBOXYLIC ACID
MFCD001706832-Phenyl-thiazolidine-4-carboxylic acidNSC 522094NSC522094ChemDiv3_010937CBDivE_001897SCHEMBL2029800CHEMBL4578941
Database identifiers
- CAS
42607-21-6
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 178 · 178-179°C
- Boiling point
- 433.6 · 433.6±45.0 °C(Predicted)
- Density
- 1.2418 · 1.2418 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- RTECS
- 5426700 · XJ5426700
- form
- Solid
- pka
- 1.98 · 1.98±0.40(Predicted)
- color
- White
- Water Solubility
- 941.7 mg/L · 941.7mg/L(21 ºC)
- Cosmetics Ingredients Functions
- SKIN PROTECTINGSKIN CONDITIONING
- CAS DataBase Reference
- 42607 · 42607-21-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934100090
- Toxicity
- mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 149, 1978.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers14 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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