AG003L87

3696-23-9 | 1-(4-Chlorophenyl)thiourea

AG003L87

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CAS Number	3696-23-9
Catalog Number	AG003L87(AGN-PC-0JVO30)
Chemical Name	1-(4-Chlorophenyl)thiourea
EC Number	223-022-4
IUPAC Name	(4-chlorophenyl)thiourea
InChI	InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key	XVEFWRUIYOXUGG-UHFFFAOYSA-N
MDL Number	MFCD00022168
Molecular Formula	C7H7ClN2S
Molecular Weight	186.6619
NSC Number	72217
SMILES	S=C(N)NC1=CC=C(Cl)C=C1
Synonyms	4-chlorophenylthiourea, 3696-23-9, 1-(4-chlorophenyl)thiourea, (4-Chlorophenyl)thiourea, N-(4-Chlorophenyl)thiourea, 4-Chlorophenyl thiourea, Thiourea, (4-chlorophenyl)-, 1-(p-Chlorophenyl)thiourea, N-(p-Chlorophenyl)thiourea, 1-(p-Chlorophenyl)-2-thiourea, 4-Chlorophenyl-2-thiourea, Urea, 1-(p-chlorophenyl)-2-thio-, EINECS 223-022-4, NSC 72217, Thourea, (4-chlorophenyl)- (9CI), (4-chloro-phenyl)-thiourea, BRN 0973258, CHEMBL1088499, MFCD00022168, amino[(4-chlorophenyl)amino]methane-1-thione, NSC72217, ACMC-20amkd, AC1LEGSB, WLN: SUYZMR DG, AC1Q3OJJ, a-(4-chlorophenyl)thiourea, NCIOpen2_000553, 1-Chloro-4-thioureidobenzene, Thourea, (4-chlorophenyl)-, 4-12-00-01206 (Beilstein Handbook Reference), KSC497S2L, SCHEMBL526059, Thiourea, N-(4-chlorophenyl)-, 1-(4-Chlorophenyl)-2-thiourea, alpha-(4-Chlorophenyl)thio Urea, CTK3J7925, DTXSID00190455, XVEFWRUIYOXUGG-UHFFFAOYSA-N, AC1Q5037, EBD17826, KS-000010AR, STR03585, ZINC5785477, BDBM50325559, HTS001879, NSC-72217, SBB041176, STK260897, Thiourea, (4-chlorophenyl)- (9CI), AKOS000113514, 1-(Carbamothioylamino)-4-chlorobenzene, CF-0053, MCULE-3754820384, RTR-015068, VZ28878, AJ-54874, CJ-12746, SC-64671, AB1007871, DB-049043, LS-159604, TR-015068, 1-(4-chlorophenyl)-2-thiourea, AldrichCPR, FT-0618253, ST24037348, ST45022077, X5263, EN300-06963, K-8206, A823483, A825555, I09-1017, F3143-0092, 1-(p-Chlorophenyl)-2-thiourea; (4-Chlorophenyl)- (9CI)-thiourea; 1-(4-Chlorophenyl)-2-thiourea, C7H7ClN2S, C7-H7-Cl-N2-S, AR-1G1962, CID735843, 4-Chlorophenylthiourea, 98% - 25G 25g, C2960, 41433-81-2,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.002g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.657g/mol
Monoisotopic Mass	186.002g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H300
Precuationary statements	P264-P270-P301+P310+P330-P405-P501
Siginal words

Certificate of Analysis

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