Basic information
- CAS
1146957-01-8- Standard SMILES
O=C(O)C1CCS(=O)(=O)N1- InChIKey
CKMPIUWDWKULKJ-UHFFFAOYSA-N- Molecular formula
- C4H7NO4S
- Average molar mass
- 165.17 g/mol
Names & identifiers
- Preferred name
- 1,1-Dioxo-1,2-thiazolidine-3-carboxylic acid
- IUPAC
- 1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
- English name
- 1,1-Dioxo-isothiazolidine-3-carboxylic acid
- Molecular formula
- C4H7NO4S
- Molecular weight
- 165.17
Names & synonyms
1146957-01-81,1-dioxo-1,2-thiazolidine-3-carboxylic acidRefChem:410266676-268-3Isothiazolidine-3-carboxylic acid 1,1-dioxide1,1-Dioxo-isothiazolidine-3-carboxylic acidC4H7NO4SMFCD073699453-Isothiazolidinecarboxylic acid, 1,1-dioxide1,1-dioxo-1lambda6,2-thiazolidine-3-carboxylic acid(R)-Isothiazolidine-3-carboxylic acid 1,1-dioxide(3S)-1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
Show more names
1,1-diyloxy-1-amino-6,2-thiazolidin-3-carboxylic acid
NSC6675243-Isothiazolidinecarboxylic acid 1,1-dioxideSCHEMBL1613612CKMPIUWDWKULKJ-UHFFFAOYSA-NXFA87893AKOS006222470CS-W023143DS-1792
Database identifiers
- CAS
1146957-01-8- PubChem CID
- 495758
- EC Number
- 676-268-3
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 399.4 · 399.4±52.0 °C(Predicted)
- Density
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- solid
- pka
- 2.95 · 2.95±0.20(Predicted)
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2934100090 · 2934100090
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2934100090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers24 total
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
5 records
Compound notes
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