CAS 5650-52-2 4H,5H,6H-cyclopenta(b)thiophen-6-one (HCID 315614)

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Basic information

CAS: 5650-52-2
Standard SMILES: O=C1CCc2ccsc21
InChIKey: QHZITEHQKWPDJE-UHFFFAOYSA-N
Molecular formula: C7H6OS
Average molar mass: 138.19 g/mol
Monoisotopic mass: 138.01393581

Names & identifiers

Preferred name: 4H,5H,6H-cyclopenta(b)thiophen-6-one
IUPAC: 4,5-dihydrocyclopenta[b]thiophen-6-one
English name: 4,5-Dihydrocyclopenta[b]thiophen-6-one
Molecular formula: C7H6OS
Molecular weight: 138.19

Names & synonyms

4H,5H,6H-cyclopenta[b]thiophen-6-one4H,5H,6H-cyclopenta(b)thiophen-6-oneRefChem:527212823-210-15650-52-24H-Cyclopenta[b]thiophen-6(5H)-one4,5-dihydrocyclopenta[b]thiophen-6-one4,5-dihydro-6H-cyclopenta[b]thiophen-6-oneMFCD034269366H-Cyclopenta[b]thiophen-6-one, 4,5-dihydro-NSC241111SCHEMBL350515

Show more names

5-CHLORO-2,3-DIMET...4H-Cyclopenta[b]thiophen-6(5H)5-bromo-N-(2-furanylmethyl)-2-methylbenzenesulfonamide

DTXSID50311299QHZITEHQKWPDJE-UHFFFAOYSA-NAKOS0062800454H-Cyclopenta[b]thiophen-6(5H);-oneCS-W003073GS-4039NSC 241111NSC-241111

Database identifiers

CAS: 5650-52-2
PubChem CID: 315614
DTXSID: DTXSID50311299
EC Number: 823-210-1
Nikkaji: J1.063.833J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 90 · 90-91 °C
Boiling point: 239.6 · 239.6±9.0 °C(Predicted)
Density: 1.322 · 1.322±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.