AG006UEA

51660-11-8 | 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline

AG006UEA

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CAS Number	51660-11-8
Catalog Number	AG006UEA(AGN-PC-0L86XJ)
Chemical Name	4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
IUPAC Name	4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline
InChI	InChI=1S/C9H11ClN2S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H2,1H3
InChI Key	XDQBZDZLOKZGBN-UHFFFAOYSA-N
MDL Number	MFCD01568403
Molecular Formula	C9H11ClN2S
Molecular Weight	214.7150
SMILES	CSC1=NC(Cl)=C2CCCCC2=N1
Synonyms	4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline, 51660-11-8, 4-chloro-2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline, AK108385, AC1N6RFG, C9H11ClN2S, 4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline, CTK1G4324, KS-00000QQA, DTXSID10401382, ZINC5721414, ANW-70606, MFCD01568403, AKOS005100912, 7N-430S, DS-2596, FCH1332752, MCULE-4399276806, MP-1868, AJ-54628, CJ-12695, AB0069182, AX8239407, TC-159351, 4CH-012111, ST24023461, Z4822, Quinazoline, 4-chloro-5,6,7,8-tetrahydro-2-(methylthio)-, CID4264640,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.711g/mol
Monoisotopic Mass	214.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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