Basic information
- CAS
913836-20-1- Standard SMILES
O=C1CCCS(=O)(=O)N1- InChIKey
PBILQPVGEGXWKT-UHFFFAOYSA-N- Molecular formula
- C4H7NO3S
- Average molar mass
- 149.17 g/mol
- Monoisotopic mass
- 149.01466426
Names & identifiers
- Preferred name
- 1Lambda6,2-thiazinane-1,1,3-trione
- IUPAC
- 1,1-dioxothiazinan-3-one
- English name
- 1,1,3-TRIOXO-TETRAHYDRO-2H-1,2-THIAZINE
- Molecular formula
- C4H7NO3S
- Molecular weight
- 149.17
Names & synonyms
1lambda6,2-thiazinane-1,1,3-trioneRefChem:439319898-739-4913836-20-11,2-Thiazinan-3-one 1,1-dioxide4-Oxo-1,4-butanesultam1,1-dioxothiazinan-3-oneMFCD086895092H-1,2-Thiazin-3(4H)-one, dihydro-, 1,1-dioxide1lambda~6~,2-Thiazinane-1,1,3-trione1,1,3-TRIOXO-TETRAHYDRO-2H-1,2-THIAZINESCHEMBL967372
Show more names
1,2-Thiazinan-3-one1,1-dioxide97%1,2-Thiazinan-3-one 1,1-dioxide 97%Tetrahydro-1,1,3-trioxo-2H-1,2-thiazine 97%2H-1,2-Thiazin-3(4H)-one,dihydro-, 1,1-dioxide1,1,3-TRIOXO-TETRAHYDRO-2H-1,2-THIAZINE USP/EP/BP4-Oxo-1,4-butanesultam, Tetrahydro-1,1,3-trioxo-2H-1,2-thiazine
SCHEMBL968209DTXSID706495611,2-Thiazinan-3-one1,1-dioxideNLB83620AKOS006343029PS-11899SY376227Tetrahydro-1,1,3-trioxo-2H-1,2-thiazine
Database identifiers
- CAS
913836-20-1- PubChem CID
- 25307124
- DTXSID
DTXSID70649561- EC Number
- 898-739-4
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 150 · 150-152
- storage temp.
- Keep Cold
- form
- solid
- color
- White
- Hazard Codes
- Xi
- Hazard Note
- Harmful/Irritant/Keep Cold
- HS Code
- 2935909099 · 2935909099
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2935909099
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant/Keep Cold
Chemistry & industry
Suppliers11 total
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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