Basic information
- CAS
210240-20-3- Standard SMILES
NC1CCS(=O)(=O)CC1- InChIKey
KZKYCKOUODFYBV-UHFFFAOYSA-N- Molecular formula
- C5H11NO2S
- Average molar mass
- 149.21 g/mol
- Monoisotopic mass
- 149.05104959
Names & identifiers
- Preferred name
- 2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
- IUPAC
- 1,1-dioxothian-4-amine
- English name
- 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
- Molecular formula
- C5H11NO2S
- Molecular weight
- 149.21
Names & synonyms
2H-THIOPYRAN-4-AMINE, TETRAHYDRO-, 1,1-DIOXIDERefChem:484450803-300-7210240-20-34-Aminotetrahydro-2H-thiopyran 1,1-dioxide1,1-DIOXO-TETRAHYDROTHIOPYRAN-4-AMINE1,1-dioxothian-4-amineTETRAHYDRO-2H-THIOPYRAN-4-AMINE 1,1-DIOXIDEMFCD095404914-amino-1lambda6-thiane-1,1-dione4-Aminotetrahydrothiopyran 1,1-DioxideSB20279
Show more names
NSC1069131,1-dioxo-4-thianamine hydrochloride1,1-dioxothian-4-amine hydrochloride(1,1-diketothian-4-yl)amine hydrochloride
tetrahydro-2H-thiopyran-4-amine-1,1-dioxideTetrahydro-2H-thiopyran-4-amine 1,1-dioxide hydrochloride1,1-DIOXO-TETRAHYDRO-2H-THIOPYRAN-4-AMINE(1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINE4-Aminotetrahydro-2H-thiopyran1,1-dioxide919513-37-4SCHEMBL967530SCHEMBL3691960
Database identifiers
- CAS
210240-20-3- PubChem CID
- 418808
- DTXSID
DTXSID40329247- EC Number
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 339.7 · 339.7±35.0 °C(Predicted)
- Density
- 1.237 · 1.237
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 8.32 · 8.32±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers64 total
苏州启航生物科技有限公司18151111370 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海九芳科技有限公司021-61150629 15921749159 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
9 records
Compound notes
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