AG000MFD

1245811-20-4 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-chloro-

AG000MFD

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CAS Number	1245811-20-4
Catalog Number	AG000MFD(AGN-PC-0WCKCM)
Chemical Name	Thieno[3,2-d]pyrimidin-4(3H)-one, 2-chloro-
IUPAC Name	2-chloro-3H-thieno[3,2-d]pyrimidin-4-one
InChI	InChI=1S/C6H3ClN2OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H,8,9,10)
InChI Key	SLIDFTPKOQIIMW-UHFFFAOYSA-N
MDL Number	MFCD19382468
Molecular Formula	C6H3ClN2OS
Molecular Weight	186.6188
SMILES	O=C1C2=C(C=CS2)N=C(Cl)N1
Synonyms	1245811-20-4, 2-CHLOROTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE, 2-chloro-3H,4H-thieno[3,2-d]pyrimidin-4-one, SCHEMBL13236422, SCHEMBL17893461, DTXSID30679586, KS-000006VX, MFCD19382468, ZINC66055045, OR52432, PB25720, AK172178, AS-36115, AX8263875, 2-chloro-1H-thieno[3,2-d]pyrimidin-4-one, 2-Chlorothieno[3,2-d]pyrimidin-4(1H)-one, CS-0051976, Q-1282, Thieno[3,2-d]pyrimidin-4(3H)-one, 2-chloro-,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.965g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.613g/mol
Monoisotopic Mass	185.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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