HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 665387Generated: November 4, 2026

5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-ol · 5-thien-2-ylthieno[2,3-d]pyrimidin-4(3H)-one · Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(2-thienyl)-

https://huagongshe.com/en/chemical/665387

5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one molecular structure

Identifiers & Physical Properties

CAS No.	215928-54-4
Molecular formula	C10H6N2OS2
Average molar mass	234.3 g/mol
Monoisotopic mass	233.99215517 g/mol
SMILES	O=c1[nH]cnc2scc(-c3cccs3)c12
InChIKey	LFUBTAOTPHKKOS-UHFFFAOYSA-N
PubChem CID	665387
ChEMBL	CHEMBL559696
EC No.	817-004-0
DTXSID	DTXSID701352213

Chemical & Physical Properties

XLogP	2.1
Topological polar surface area	97.9
Hydrogen bond donors	1
Hydrogen bond acceptors	4
Rotatable bonds	1
Heavy atoms	15
Formal charge	0
Complexity	308
LogP (partition coefficient)	2.18
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H302-H319-H335
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Customs code	2933599590

Safety & Regulations

GHS classification	WarningH302 (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 Categories	Acute Tox. 4 (100%)
Customs code	2933599590
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H302-H319-H335
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501