AG00EE5K

598298-10-3 | 4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine

AG00EE5K

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CAS Number	598298-10-3
Catalog Number	AG00EE5K(AGN-PC-03IPZW)
Chemical Name	4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine
IUPAC Name	4-chloro-2-methylsulfanylthieno[2,3-d]pyrimidine
InChI	InChI=1S/C7H5ClN2S2/c1-11-7-9-5(8)4-2-3-12-6(4)10-7/h2-3H,1H3
InChI Key	MPSIJWLMMVUKGB-UHFFFAOYSA-N
MDL Number	MFCD12407812
Molecular Formula	C7H5ClN2S2
Molecular Weight	216.7110
SMILES	CSC1=NC2=C(C=CS2)C(Cl)=N1
Synonyms	4-chloro-2-(methylthio)thieno[2,3-d]pyrimidine, 598298-10-3, 4-chloro-2-(methylsulfanyl)thieno[2,3-d]pyrimidine, Thieno[2,3-d]pyrimidine, 4-chloro-2-(methylthio)-, PubChem20765, SCHEMBL3234762, CTK5B0565, DTXSID20621236, MPSIJWLMMVUKGB-UHFFFAOYSA-N, 8909AB, MFCD12407812, SBB095337, ZINC43828347, AKOS005073856, QC-5354, RP27009, AB0096149, AJ-109053, DB-072702, TR-037221, FT-0681732, 4-chloro-2-methylthiothiopheno[2,3-d]pyrimidine, 4-chloro-2-methylsulfanylthieno[2,3-d]pyrimidine, 4-Chloro-2-methylsulfanyl-thieno[2,3-d]pyrimidine, I03-1151, J-514909, I14-13023, C7H5ClN2S2, ACN-038701,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.701g/mol
Monoisotopic Mass	215.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	79.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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