Basic information
- CAS
172214-44-7- Standard SMILES
O=C(O)C1=CCCSC1- InChIKey
FCNJYUNCJRAREJ-UHFFFAOYSA-N- Molecular formula
- C6H8O2S
- Average molar mass
- 144.19 g/mol
Names & identifiers
- Preferred name
- 5,6-dihydro-2H-thiopyran-3-carboxylic acid
- IUPAC
- 3,6-dihydro-2H-thiopyran-5-carboxylic acid
- English name
- 5,6-Dihydro-2H-thiopyran-3-carboxylic acid
- Molecular formula
- C6H8O2S
- Molecular weight
- 144.19
Names & synonyms
5,6-dihydro-2H-thiopyran-3-carboxylic Acid172214-44-7RefChem:528048996-244-93,6-dihydro-2H-thiopyran-5-carboxylic acidSCHEMBL5415630XGA21444AKOS0063808585,6-dihydro-2H-thiopyran-3-carboxylicAcidDB-027085CS-0260446EN300-75216
Show more names
2H-Thiopyran-3-carboxylic acid, 5,6-dihydro-
G59088Z1172114103
Database identifiers
- CAS
172214-44-7- PubChem CID
- 10240930
- EC Number
- 996-244-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
2 records
Compound notes
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