AG003K08

614-10-8 | 3-amino-1-(2-methylphenyl)thiourea

AG003K08

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CAS Number	614-10-8
Catalog Number	AG003K08(AGN-PC-0JVOON)
Chemical Name	3-amino-1-(2-methylphenyl)thiourea
IUPAC Name	1-amino-3-(2-methylphenyl)thiourea
InChI	InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChI Key	QCMQZMITIOLXFZ-UHFFFAOYSA-N
MDL Number	MFCD00041277
Molecular Formula	C8H11N3S
Molecular Weight	181.2580
NSC Number	97210
SMILES	NNC(NC1=CC=CC=C1C)=S
Synonyms	614-10-8, 4-(2-METHYLPHENYL)-3-THIOSEMICARBAZIDE, N-(o-tolyl)hydrazinecarbothioamide, 4-(2-Methylphenyl)thiosemicarbazide, 3-amino-1-(2-methylphenyl)thiourea, n-(2-methylphenyl)hydrazinecarbothioamide, 4-(o-Tolyl)-3-thiosemicarbazide, MFCD00041277, hydrazino[(2-methylphenyl)amino]methane-1-thione, NSC97210, ACMC-1BCWM, AC1LEJO7, AC1Q7ELA, WLN: ZMYUS&MR B1, 4-(o-Tolyl)thiosemicarbazide, N-o-tolylhydrazinecarbothioamide, SCHEMBL5434789, CTK5B3196, QCMQZMITIOLXFZ-UHFFFAOYSA-N, ZINC164194, 1-amino-3-(2-methylphenyl)thiourea, NSC-97210, SBB038378, AKOS000268241, CS-W017148, MCULE-5390471441, NE21305, VZ27691, UPCMLD0ENAT0506-4307:001, DB-053871, Hydrazinecarbothioamide,N-(2-methylphenyl)-, TC-169385, FT-0613071, ST50211110, 4-(2-Methylphenyl)-3-thiosemicarbazide, 98%, 4-(2-Methylphenyl)-3-thiosemicarbazide, AldrichCPR, 4-o-Tolylthiosemicarbazide, o-Tolyl thiosemicarbazide, 3-Thio-4-o-tolylsemicarbazide, C8H11N3S, Semicarbazide, 3-thio-4-o-tolyl-, C8-H11-N3-S, AR-1J8135, CID737133, NSC 97210, ACN-042560, BRN 0880437, Hydrazinecarbothioamide, N-(2-methylphenyl)-, 3-12-00-01882 (Beilstein Handbook Reference), Hydrazinecarbothioamide, N-(2-methylphenyl)- (9CI), 61886-21-3,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.067g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	181.257g/mol
Monoisotopic Mass	181.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	82.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅱ
Precautionary statements	P264-P270-P301+P310-P321-P405-P501
UN Code	UN 2811

Certificate of Analysis

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