AG00FCHU

67398-34-9 | (1-Phenyl-ethyl)thiourea

AG00FCHU

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CAS Number	67398-34-9
Catalog Number	AG00FCHU(AGN-PC-0JV2SB)
Chemical Name	(1-Phenyl-ethyl)thiourea
IUPAC Name	1-phenylethylthiourea
InChI	InChI=1S/C9H12N2S/c1-7(11-9(10)12)8-5-3-2-4-6-8/h2-7H,1H3,(H3,10,11,12)
InChI Key	XTFIWYQHNZIYCQ-UHFFFAOYSA-N
MDL Number	MFCD00729524
Molecular Formula	C9H12N2S
Molecular Weight	180.2700
NSC Number	5351
SMILES	S=C(N)NC(C1=CC=CC=C1)C
Synonyms	(1-Phenyl-ethyl)thiourea, 67398-34-9, (1-Phenyl-ethyl)-thiourea, 1-(1-phenylethyl)thiourea, (1-phenylethyl)thiourea, 1-phenylethylthiourea, NSC5351, AC1MBGIV, alpha-methylbenzylthiourea, AC1Q2BLT, N-(1-phenylethyl)thiourea, SCHEMBL4037544, CTK2F4050, CCG-259, DTXSID80369369, HMS1783K07, NSC-5351, KM1093, MFCD00729524, STL412555, AKOS001051569, AKOS016050206, MCULE-3075661616, NCGC00321536-01, amino[(phenylethyl)amino]methane-1-thione, DB-018653, TR-022807, ST50648437, V7228, EN300-05812, AB01317026-02, I09-2547, Z56913099, 1-(beta-phenethyl)-2-thiourea, C9H12N2S, CID2725262, 6815-00-5,

Complexity	153
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	2
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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