AG000DUU

117174-84-2 | Thiourea, N-(3-chloro-4-methylphenyl)-

AG000DUU

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CAS Number	117174-84-2
Catalog Number	AG000DUU(AGN-PC-0KKLYO)
Chemical Name	Thiourea, N-(3-chloro-4-methylphenyl)-
IUPAC Name	(3-chloro-4-methylphenyl)thiourea
InChI	InChI=1S/C8H9ClN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChI Key	WOUSOFAZMILXJW-UHFFFAOYSA-N
MDL Number	MFCD00060443
Molecular Formula	C8H9ClN2S
Molecular Weight	200.6885
SMILES	S=C(N)NC1=CC=C(C)C(Cl)=C1
Synonyms	117174-84-2, 1-(3-chloro-4-methylphenyl)thiourea, 1-(3-Chloro-4-methylphenyl)-2-thiourea, (3-chloro-4-methylphenyl)thiourea, Thiourea,N-(3-chloro-4-methylphenyl)-, n-(3-chloro-4-methylphenyl)thiourea, Thiourea, N-(3-chloro-4-methylphenyl)-, ACMC-20drbx, AC1MBWH0, SCHEMBL68180, 3-chloro-4-methylphenylthiourea, CTK4B0170, DTXSID60374012, ZINC2528131, 9829AC, BBL022994, EBD221564, MFCD00060443, STL282263, (3-Chloro-4-methyl-phenyl)-thiourea, AKOS000113508, MCULE-6007785892, RTR-003075, Thiourea, (3-chloro-4-methylphenyl)-, 1-(3-chloranyl-4-methyl-phenyl)thiourea, AJ-38225, AS-49950, SC-64705, DB-018498, TR-003075, FT-0682070, ST24037205, ST51041873, T7329, A803728, I09-2634, J-003527, amino[(3-chloro-4-methylphenyl)amino]methane-1-thione, C8H9ClN2S, ZINC02528131, CID2757701,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.017g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.684g/mol
Monoisotopic Mass	200.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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