AG004OR6

842138-74-3 | 5-Bromoquinazolin-6-ylthiourea

AG004OR6

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CAS Number	842138-74-3
Catalog Number	AG004OR6(AGN-PC-0589OT)
Chemical Name	5-Bromoquinazolin-6-ylthiourea
IUPAC Name	(5-bromoquinoxalin-6-yl)thiourea
InChI	InChI=1S/C9H7BrN4S/c10-7-5(14-9(11)15)1-2-6-8(7)13-4-3-12-6/h1-4H,(H3,11,14,15)
InChI Key	HURGDIYVXQDVMD-UHFFFAOYSA-N
MDL Number	MFCD08445609
Molecular Formula	C9H7BrN4S
Molecular Weight	283.1477
SMILES	S=C(N)NC1=CC=C2N=CC=NC2=C1Br
Synonyms	842138-74-3, 1-(5-Bromoquinoxalin-6-yl)thiourea, N-(5-BROMOQUINOXALIN-6-YL)THIOUREA, (5-bromoquinoxalin-6-yl)thiourea, AK163347, Brimonidine Impurity I, C9H7BrN4S, 5-bromoquinoxalin-6-ylthiourea, CTK5F1999, KS-00000GPA, ZX-AT016140, MFCD08445609, ZINC16123543, AKOS024464491, AC-5322, AN-6805, DS-8048, Thiourea,N-(5-bromo-6-quinoxalinyl)-, Thiourea, N-(5-bromo-6-quinoxalinyl)-, AX8141511, FT-0658258, ST24037433, Z3699, 138B743, 5-Bromoquinazolin-6-ylthiourea, 5-Bromoquinazolin-6-ylthiourea 1g, CS-T-08882,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.957g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.147g/mol
Monoisotopic Mass	281.957g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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