AG003EM9

645-48-7 | 1-Phenyl-3-thiosemicarbazide

AG003EM9

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CAS Number	645-48-7
Catalog Number	AG003EM9(AGN-PC-0KL0PT)
Chemical Name	1-Phenyl-3-thiosemicarbazide
EC Number	211-444-1
IUPAC Name	anilinothiourea
InChI	InChI=1S/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)
InChI Key	JDXKTOBMLZLCSB-UHFFFAOYSA-N
MDL Number	MFCD00042739
Molecular Formula	C7H9N3S
Molecular Weight	167.2315
SMILES	S=C(N)NNC1=CC=CC=C1
UNII	6EE7260GUN
Synonyms	1-Phenyl-3-thiosemicarbazide, 645-48-7, 2-Phenylhydrazinecarbothioamide, 1-Phenylthiosemicarbazide, Hydrazinecarbothioamide, 2-phenyl-, Phenylthiosemicarbazide, Semicarbazide, 1-phenyl-3-thio-, NSC 25003, EINECS 211-444-1, NSC 179798, UNII-6EE7260GUN, AI3-03695, 6EE7260GUN, JDXKTOBMLZLCSB-UHFFFAOYSA-N, WLN: SUYZMMR, anilinothiourea, phenylaminothiourea, (phenylamino)thiourea, AC1MCZ9R, ARONIS23885, SCHEMBL163118, ACMC-1B469, DTXSID9060948, 2-Phenylhydrazinecarbothioamide #, 2-phenyl-1-hydrazinecarbothioamide, NSC25003, ZINC5933796, 7352AE, ANW-34905, BBL010670, MFCD00042739, NSC-25003, NSC179798, SBB080566, STL146299, AKOS000120964, MCULE-7195868161, NSC-179798, amino(2-phenylhydrazino)methane-1-thione, NCGC00334364-01, SC-52744, DB-025636, LS-144900, TL8004589, TR-022093, FT-0682657, P0234, Z-0826, AB01327540-02, I09-2517, 1-Phenylthiosemicarbazide, for spectrophotometric det. of Co, >=99.0%, phenylthiosemicarbazone, USAF EL-45, C7H9N3S, USAF EK-5426, C7-H9-N3-S, CID2781094,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	167.23g/mol
Monoisotopic Mass	167.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	82.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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