Basic information
- CAS
263339-24-8- Standard SMILES
Nc1ccc(CN2CCS(=O)(=O)CC2)cc1- InChIKey
TZMCILRCGMFRJC-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.09324875
Names & identifiers
- Preferred name
- 4-(4-Aminobenzyl)thiomorpholine 1,1-dioxide
- IUPAC
- 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
- English name
- 4-(4-Aminobenzyl)-1lambda6,4-thiazinane-1,1-dione
- Molecular formula
- C11H16N2O2S
- Molecular weight
- 240.32
Names & synonyms
263339-24-84-(4-Aminobenzyl)thiomorpholine 1,1-dioxide4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline4-(4-AMINOBENZYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONEMFCD03407300Benzenamine, 4-[(1,1-dioxido-4-thiomorpholinyl)methyl]-4-[(4-aminophenyl)methyl]-1lambda-thiomorpholine-1,1-dione4-((1,1-dioxo-1,4-thiazinan-4-yl)methyl)aniline4-(4'-Aminobenzyl)thiomorpholine 1,1-dioxideSDCCGMLS-0066158.P0014-[(1,1-Dioxidothiomorpholin-4-yl)methyl]anilineSCHEMBL2479586
Show more names
(4-Aminobenzyl)thiomorpholine 1,1-dioxide4-[(1,1-Dioxidothiomorpholin-4-yl)methyl]aniline90%4-[(1,1-Dioxidothiomorpholin-4-yl)methyl]aniline 90%
TQR929DTXSID10381498TZMCILRCGMFRJC-UHFFFAOYSA-NSBB099297AKOS009158752MS-22183SY5529584-(4-Aminobenzyl)-4-thiazinane-1,1-dione
Database identifiers
- CAS
263339-24-8- PubChem CID
- 2779682
- DTXSID
DTXSID10381498
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 465.3 · 465.3±40.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 5.69 · 5.69±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3259 · 3259
- Hazard Note
- Corrosive
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- ridadr
- 3259
- hs_code
- 2934999090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- Hazard statements
- H314
- Precautionary statements
- P280
Chemistry & industry
Suppliers8 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
15 records
Compound notes
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