AG003LSI

622-52-6 | 1-(p-Tolyl)thiourea

AG003LSI

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CAS Number	622-52-6
Catalog Number	AG003LSI(AGN-PC-0JVGQN)
Chemical Name	1-(p-Tolyl)thiourea
EC Number	210-740-8
IUPAC Name	(4-methylphenyl)thiourea
InChI	InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChI Key	VXLFMCZPFIKKDZ-UHFFFAOYSA-N
MDL Number	MFCD00041190
Molecular Formula	C8H10N2S
Molecular Weight	166.2434
NSC Number	28041
SMILES	S=C(N)NC1=CC=C(C)C=C1
Synonyms	622-52-6, p-Tolylthiourea, 1-(p-Tolyl)thiourea, 1-p-Tolylthiourea, 4-Methylphenylthiourea, 1-(4-methylphenyl)thiourea, N-(4-Methylphenyl)thiourea, (4-methylphenyl)thiourea, 1-(4-Methylphenyl)-2-thiourea, N-p-Tolylthiourea, p-Tolylthiocarbamide, Urea, 2-thio-1-p-tolyl-, Thiourea, (4-methylphenyl)-, NSC 28041, 1-(4-methylphenyl) thiourea, EINECS 210-740-8, AI3-61384, CHEMBL1088360, VXLFMCZPFIKKDZ-UHFFFAOYSA-N, MFCD00041190, amino[(4-methylphenyl)amino]methane-1-thione, 4-Tolylthiourea, p-tolyl thiourea, NSC28041, 1-p-Tolylisothiourea, N-(p-Tolyl)thiourea, N-(p-Tolyl)thiourea,, 2-thio-1-p-tolylurea, p-Tolyl-isothioharnstoff, ACMC-1BEKX, (p-Methylphenyl)thiourea, AC1LF4FK, AC1Q7EJT, WLN: SUYZMR D1, AC1Q2MI8, N-(p-methylphenyl) thiourea, MLS000417143, SCHEMBL1278440, SCHEMBL10785064, Thiourea, N-(4-methylphenyl)-, CTK8B2034, KS-00000LVH, DTXSID40211239, EBD2853, HMS2573G16, ZINC5781285, ANW-34122, BBL008697, BDBM50356163, CM-858, HTS015187, NSC-28041, SBB061970, STK104869, Thiourea, (4-methylphenyl)- (9CI), AKOS000113781, AKOS005169879, MCULE-2362563995, VZ20969, N-(4-methylphenyl)carbamimidothioic acid, NCGC00246120-01, AJ-54834, AK161770, AN-46736, SC-64661, SMR000264357, AB0032065, AB1003958, DB-018611, LS-160744, TL8004078, TR-021397, 4CH-023235, FT-0619102, N-(4-methylphenyl)-1-sulfanylmethanimidamide, ST24037641, ST50170882, T8049, X5336, EN300-12865, 7R-0242, A833678, I09-1020, I14-5921, F0777-0572, A2429/0102868, C8H10N2S, KST-1B6375, C8-H10-N2-S, AR-1B2273, CID722833, 3-BOC-AMINOmethyl-AZETIDINE hydrochloride, T0656, 6267-24-9, 1170108-38-9,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.056g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.242g/mol
Monoisotopic Mass	166.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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