Basic information
- CAS
410545-38-9- Standard SMILES
O=S1(=O)CCNCCN1- InChIKey
XDQLPJWKJFFSFI-UHFFFAOYSA-N- Molecular formula
- C4H10N2O2S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.04629874
Names & identifiers
- Preferred name
- 1,2,5-Thiadiazepane 1,1-dioxide
- IUPAC
- 1,2,5-thiadiazepane 1,1-dioxide
- English name
- 1,2,5-Thiadiazepane 1,1-dioxide
- Molecular formula
- C4H10N2O2S
- Molecular weight
- 150.2
Names & synonyms
1,2,5-thiadiazepane 1,1-dioxide410545-38-91lambda(6),2,5-Thiadiazepane-1,1-dione1lambda6,2,5-thiadiazepane-1,1-dione1,2,5-Thiadiazepine, hexahydro-, 1,1-dioxideMFCD206628171|E6,2,5-Thiadiazepane-1,1-dione1,1-dioxo-1,2,5-thiadiazepaneSCHEMBL1571276SCHEMBL3544849SCHEMBL3545202XDQLPJWKJFFSFI-UHFFFAOYSA-N
Show more names
AKOS022961248KS-8068SY120336DB-290963CS-0133917Hexahydro-1,2,5-thiadiazepine 1,1-dioxideE76445EN300-1588272
Database identifiers
- CAS
410545-38-9- PubChem CID
- 22346366
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 285.4 · 285.4±50.0℃ (760 Torr)
- Density
- 1.222 · 1.222±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 126.4 · 126.4±30.1℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- 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.
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州美石生物科技有限公司1173954148q · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
4 records
Compound notes
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