Basic information
- CAS
5025-82-1- Standard SMILES
CC(=O)N1CSCC1C(=O)O- InChIKey
WXTBYSIPOKXCPM-UHFFFAOYSA-N- Molecular formula
- C6H9NO3S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.03031432
Names & identifiers
- Preferred name
- 4-Thiazolidinecarboxylic acid, 3-acetyl-
- IUPAC
- 3-acetyl-1,3-thiazolidine-4-carboxylic acid
- English name
- Folcisteine
- Molecular formula
- C6H9NO3S
- Molecular weight
- 175.21
Names & synonyms
3-Acetylthiazolidine-4-carboxylic acid4-Thiazolidinecarboxylic acid, 3-acetyl-N-Acetylthiazolidine-4-carboxylic acidN-ATCAcetylthiazolidinecarboxylic acidEINECS 225-713-6NSC 146111DTXSID30863483RefChem:526995DTXCID30220936225-713-6Folcisteine
Show more names
NATCA3-ACETYL-THIAZOLIDIN-4-CARBOXYLIC ACIDaatcaHemiphyllinaatca FolcisteineFolcisteine 5025-82-12-hydroperoxy-1,4-dioxane
5025-82-13-acetyl-1,3-thiazolidine-4-carboxylic acid3-Acetyl-thiazolidine-4-carboxylic acid24877-72-3N-acetyl-thiazolidine-4-carboxylic acid3-ACETYL-4-THIAZOLIDINECARBOXYLIC ACIDMFCD00070139Acetyl-Thiazolidine-4-Carboxylic acid
Database identifiers
- CAS
5025-82-1- PubChem CID
- 98928
- DTXSID
DTXSID30863483- ChEMBL
CHEMBL1400300- EC Number
- 225-713-6
- Nikkaji
- J203.256B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 146 · 146-148 °C
- Boiling point
- 439 · 439.0±45.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C
- solubility
- 160 mg/mL · DMSO : ≥ 160 mg/mL (913.19 mM)
- form
- Solid
- pka
- 3.27 · 3.27±0.20(Predicted)
- color
- White to off-white
- Water Solubility
- 113.2 g/L · 113.2g/L at 20℃
- InChI
- InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)
- InChIKey
- WXTBYSIPOKXCPM-UHFFFAOYSA-N
- SMILES
- S1CC(C(O)=O)N(C(C)=O)C1
- LogP
- -0.5 at · -0.5 at 25℃
- CAS DataBase Reference
- 5025 · 5025-82-1(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · 4-Thiazolidinecarboxylic acid, 3-acetyl- (5025-82-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 1.2% (1 of 83) of reports.
Danger
H302 (48.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 83 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-acetylthiazolidine-4-carboxylic acid (EC: 225-713-6)
Hazard Classes and CategoriesAcute Tox. 4 (48.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Thiazolidinecarboxylic acid, 3-acetyl-: ACTIVE
Applications
Uses3-Acetyl-4-thiazolidinecarboxylic acid is a reactant in the reaction of cyclic N-acyl-α-amino acids with N-(phenylmethylene)benzenesulfonamide.
Suppliers102 total
北京华美互利生物化工010-56205725 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
泰安环宇化工有限公司13176825516; 13176825516 · [email protected]
甘肃省百事兴药业有限公司15008395229 15008395229 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
上海遐瑞医药科技有限公司+86 21 61551611
越林试剂021-62960152 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
成都百事兴科技实业有限公司18111554528 19544347486 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
无锡景耀生物科技有限公司88770633 13961738808 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
湖北阡陌生物科技有限公司0711-3812399 18062309155 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
南京罗迈美生物科技有限公司[email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL：0755-23574479 2355327139 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
湖北鸿鑫瑞宇精细化工有限公司027-65526929 15102793023 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
武汉宏信康精细化工有限公司027-59362599 18674037007 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
1 records
Compound notes
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