AG003SA0

6815-00-5 | (2-phenylethyl)thiourea

AG003SA0

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CAS Number	6815-00-5
Catalog Number	AG003SA0(AGN-PC-0JVO32)
Chemical Name	(2-phenylethyl)thiourea
IUPAC Name	2-phenylethylthiourea
InChI	InChI=1S/C9H12N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
InChI Key	OFVGPHQYOCKLLM-UHFFFAOYSA-N
MDL Number	MFCD00041194
Molecular Formula	C9H12N2S
Molecular Weight	180.2700
SMILES	S=C(N)NCCC1=CC=CC=C1
Synonyms	2-Phenylethylthiourea, 6815-00-5, n-phenethylthiourea, phenethylthiourea, (2-phenylethyl)thiourea, 1-phenethylthiourea, N-(2-phenylethyl)thiourea, phenethyl-thiourea, CHEMBL1087842, MFCD00041194, 1-(2-phenylethyl)thiourea, amino[(2-phenylethyl)amino]methane-1-thione, 3-phenethylthiourea, LE2, phenylethylisothiourea, AC1LEGSH, 1-(phenethyl)-2-thiourea, AC1Q7EM4, N-(2-phenylethyl)-thiourea, SCHEMBL525787, CTK7D3988, OFVGPHQYOCKLLM-UHFFFAOYSA-N, HMS1783O08, ZINC153658, N-(2-Phenylethyl)thiourea, 97%, KS-000027YH, 8045AE, BDBM50356171, SBB017394, AKOS001064973, MCULE-2932414196, NCGC00335873-01, MS-11544, ST078377, FT-0613334, AB01327772-02, 1-(beta-phenethyl)-2-thiourea, Thiourea, (2-phenylethyl)-, Urea, 1-phenethyl-2-thio-, C9H12N2S, N-(2-Phenylethyl)thioformamide, KST-1B7450, AR-1B1105, CID735845, ZINC00153658, 68400-51-1,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.072g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.269g/mol
Monoisotopic Mass	180.072g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280f
UN Code	\N

Certificate of Analysis

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