HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12371621Generated: October 31, 2026

2,3-Dihydro-1-benzothiepin-4(5H)-one

https://huagongshe.com/en/chemical/12371621

2,3-Dihydro-1-benzothiepin-4(5H)-one molecular structure

Identifiers & Physical Properties

CAS No.65039-90-9
Molecular formulaC10H10OS
Average molar mass178.25 g/mol
Monoisotopic mass178.04523611 g/mol
SMILESO=C1CCSc2ccccc2C1
InChIKeyRMKIJTZGUNUYHT-UHFFFAOYSA-N
PubChem CID12371621
EC No.184-134-6
DTXSIDDTXSID80494862

Chemical & Physical Properties

XLogP1.9
Topological polar surface area42.4
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms12
Formal charge0
Complexity179

Safety & Regulations

GHS classificationWarningH302 (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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)