AG003D8Y

3898-08-6 | 1,1-Diphenyl-2-thiourea

AG003D8Y

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CAS Number	3898-08-6
Catalog Number	AG003D8Y(AGN-PC-0WG3MX)
Chemical Name	1,1-Diphenyl-2-thiourea
EC Number	223-448-0
IUPAC Name	1,1-diphenylthiourea
InChI	InChI=1S/C13H12N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChI Key	FPZXQVCYHDMIIA-UHFFFAOYSA-N
MDL Number	MFCD00059151
Molecular Formula	C13H12N2S
Molecular Weight	228.3128
NSC Number	49187
SMILES	S=C(N)N(C1=CC=CC=C1)C2=CC=CC=C2
UNII	MPJ2UNH7EF
Synonyms	1,1-Diphenyl-2-thiourea, 1,1-Diphenylthiourea, 3898-08-6, N,N-Diphenylthiourea, Thiourea, N,N-diphenyl-, USAF EK-7087, Urea, 1,1-diphenylthio-, Urea, 1,1-diphenyl-2-thio-, MPJ2UNH7EF, UNII-MPJ2UNH7EF, FPZXQVCYHDMIIA-UHFFFAOYSA-N, EINECS 223-448-0, NSC 49187, AI3-24939, NSC49187, Thiourea,N-diphenyl-, Urea,1-diphenylthio-, AC1MHWYF, 1,1-Diphenyl-thiourea, WLN: SUYZNR&R, ACMC-1BN9Y, Urea,1-diphenyl-2-thio-, SCHEMBL81706, MLS000688186, SCHEMBL8900621, Jsp000263, CHEMBL1423001, DTXSID6063228, HMS1679A09, HMS2718G03, ZINC5933775, amino(diphenylamino)methane-1-thione, ANW-13851, MFCD00059151, NSC-49187, STL089891, AKOS000119988, MCULE-3872424368, BIS(5-METHOXYBENZYLIDENE)ACETONE, NCGC00245090-01, AS-11529, BAS 00367353, SMR000283844, LS-160095, TC-102596, D0918, ST50225465, K-0062, BRD-K52381940-001-07-4, I14-58200, Z87002412, InChI=1/C13H12N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16, Diphenylthiourea, 1,1-Diphenyl-2-propyn-1-ol, C13H12N2S, CID3034143,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.072g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.313g/mol
Monoisotopic Mass	228.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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