Basic information
- CAS
24445-35-0- Standard SMILES
CSc1ccc(C=O)s1- InChIKey
RKXYTFTZODXDEF-UHFFFAOYSA-N- Molecular formula
- C6H6OS2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 157.98600716
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)thiophene-2-carbaldehyde
- IUPAC
- 5-methylsulfanylthiophene-2-carbaldehyde
- English name
- 4,6-DICHLORO-2-(TRIFLUOROMETHYL)QUINOLINE
- Molecular formula
- C6H6OS2
- Molecular weight
- 158.24
Names & synonyms
5-(methylsulfanyl)thiophene-2-carbaldehydeRefChem:531403806-953-65-(Methylthio)Thiophene-2-Carbaldehyde24445-35-05-(Methylthio)thiophene-2-carboxaldehyde5-methylsulfanylthiophene-2-carbaldehydeMFCD001737445-methylmercapto-2-thiophenaldehyde5-Methylthio-2-thiophenecarbaldehyde5-Methylsulfanyl-thiophene-2-carbaldehydeEN300-181575
Show more names
BUTTPARK 29\06-46BUTTPARK 147\04-122-(Methylthio)thiophene-5-carboxaldehyde5-(methylthio)-2-thiophenecarboxaldehyde5-Methylsulfanylthiophene-2-carboxaldehyde2-Thiophenecarboxaldehyde, 5-(methylthio)-5-(Methylthio)thiophene-2-carboxaldehyde>
Z3674873682-formyl-5-methylthiothipheneSCHEMBL1838483SCHEMBL6210987DTXSID303717552-Formyl-5-(methylthio)thiopheneZAA445355-methylthiothiophene-2-carbaldehyde
Database identifiers
- CAS
24445-35-0- PubChem CID
- 2736997
- DTXSID
DTXSID30371755- EC Number
- 806-953-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 104 °C · 104 °C
- Boiling point
- 86 °C · 86°C 0,3mm
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- refractive index
- 1.6624 · 1.6624 (589.3 nm 20℃)
- form
- powder to lump
- color
- White to Orange to Green
- InChI
- 1S/C6H6OS2/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
- InChIKey
- RKXYTFTZODXDEF-UHFFFAOYSA-N
- SMILES
- CSc1ccc(C=O)s1
- CAS DataBase Reference
- 24445 · 24445-35-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 29349990
- risk_code
- 36/37/38-43-41-37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-39-36/37-60-37-23
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers52 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
30 records
Compound notes
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