Basic information
- CAS
17688-68-5- Standard SMILES
O=S1(=O)CCN(c2ccccc2)CC1- InChIKey
OLQHDKQJHKZUNN-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Names & identifiers
- Preferred name
- Thiomorpholine, 4-phenyl-, 1,1-dioxide
- IUPAC
- 4-phenyl-1,4-thiazinane 1,1-dioxide
- English name
- 4-PHENYLTHIOMORPHOLINE 1,1-DIOXIDE
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
4-Phenylthiomorpholine 1,1-dioxide17688-68-5Thiomorpholine, 4-phenyl-, 1,1-dioxide4-Phenylthiomorpholine-1,1-dioxideEINECS 241-675-3NSC 261427DTXSID6051801RefChem:189568DTXCID2030356241-675-34-phenyl-1,4-thiazinane 1,1-dioxideMFCD00100136
Show more names
CHEMPACIFIC 361834-Phenylthiomorpholine1,1-Dioxide>thiomorpholine,4-phenyl-,1,1-dioxide
4-PHENYL-1??-THIOMORPHOLINE-1,1-DIONENSC-261427T5K55QHA7GOprea1_801485SCHEMBL1032563SCHEMBL2456271SCHEMBL3600460SCHEMBL5657586
Database identifiers
- CAS
17688-68-5- PubChem CID
- 87241
- DTXSID
DTXSID6051801- UNII
- T5K55QHA7G
- EC Number
- 241-675-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 427.8 · 427.8±38.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- form
- powder to crystal
- pka
- 3.75 · 3.75±0.40(Predicted)
- color
- White to Light yellow to Purple
- FDA UNII
- 5 K55QHA7G · T5K55QHA7G
- EPA Substance Registry System
- 4 · Thiomorpholine, 4-phenyl-, 1,1-dioxide (17688-68-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- RTECS
- 3050025 · XM3050025
- TSCA
- TSCA listed
- HS Code
- 2934.99 · 2934.99.4400
- Toxicity
- 50 · rat,LD50,oral,800mg/kg (800mg/kg),VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. OTS0534331,
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, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- XM3050025
- hs_code
- 2934.99.4400
- Toxicity
- rat,LD50,oral,800mg/kg (800mg/kg),VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. OTS0534331,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiomorpholine, 4-phenyl-, 1,1-dioxide: ACTIVE
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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