1,3,2-Dioxathiane 2-oxide

HCID 77839
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Basic information

CAS
4176-55-0
Standard SMILES
O=S1OCCCO1
InChIKey
LOURZMYQPMDBSR-UHFFFAOYSA-N
Molecular formula
C3H6O3S
Average molar mass
122.15 g/mol
Monoisotopic mass
122.00376505

Names & identifiers

Preferred name
1,3,2-Dioxathiane 2-oxide
IUPAC
1,3,2-dioxathiane 2-oxide
English name
1,3,2-Dioxathiane 2-oxide
Molecular formula
C3H6O3S
Molecular weight
122.14294

Names & synonyms

1,3,2-Dioxathiane 2-oxide4176-55-01,3,2-dioxathiane, 2-oxideEINECS 224-044-7DTXSID10194585NSC 78687RefChem:72200DTXCID50117076224-044-7InChI=1/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3HTrimethylene sulfite1,3-Propylene sulfite
Show more names
1,3,2-Dioxathian-2-one1,3-Propanediol cyclic sulfiteMFCD016828801,2-Dioxathiane, 2-oxide2-Oxo-1,3,2-dioxathiane1,3,2lambda~4~-Dioxathian-2-oneNSC-786874AT4ZWH29Y

Database identifiers

CAS
4176-55-0
PubChem CID
77839
DTXSID
DTXSID10194585
UNII
4AT4ZWH29Y
EC Number
224-044-7
Nikkaji
J1.172.343H、J150.562I

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
54.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
-14 °C · -14 °C
Boiling point
88 °C · 88 °C(Press: 39 Torr)
Density
1.3225 g/cm3 · 1.3225 g/cm3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemistry & industry

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

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Compound notes

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