Basic information
- CAS
19090-03-0- Standard SMILES
O=C1CCCSC1- InChIKey
ATAMXDLUUTYFKT-UHFFFAOYSA-N- Molecular formula
- C5H8OS
- Average molar mass
- 116.18 g/mol
- Monoisotopic mass
- 116.02958588
Names & identifiers
- Preferred name
- Dihydro-2H-thiopyran-3(4H)-one
- IUPAC
- thian-3-one
- English name
- Tetrahydro-2H-thiopyran-3-one
- Molecular formula
- C5H8OS
- Molecular weight
- 116.18
Names & synonyms
Dihydro-2H-thiopyran-3(4H)-one2H-Thiopyran-3(4H)-one, dihydro-3-ThiacyclohexanoneTetrahydrothiopyran-3-oneDTXSID001725993-Oxotetrahydrothiopyran1-Thiacyclohexan-3-oneTetrahydrothia-3-pyranone5,6-Dihydro-2(H)-thiopyran-3(4H)-oneRefChem:133695DTXCID5095090801-056-6
Show more names
3-thianoneDihydro-2H-thiopyran-3(4H)Tetrahydro-2H-thiopyran-3...5,6-Dihydro-2H-thiopyran-3(4H)-onedihydro-2H-thiopyran-3(4H)-one(SALTDATA: FREE)
ATAMXDLUUTYFKT-UHFFFAOYSA-NInChI=1/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H19090-03-0thian-3-oneTetrahydro-2H-thiopyran-3-oneMFCD000407963-oxothianeSCHEMBL621262
Database identifiers
- CAS
19090-03-0- PubChem CID
- 140474
- DTXSID
DTXSID00172599- EC Number
- 801-056-6
- Nikkaji
- J99.932F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80.1
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 4 Torr)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- HS Code
- 2934999090 · 2934999090
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers65 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司
Related reactions
6 records
Compound notes
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