AG002QY1

2521-24-6 | Benzenecarbothioamide, 4-chloro-

AG002QY1

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CAS Number	2521-24-6
Catalog Number	AG002QY1(AGN-PC-0KK6RJ)
Chemical Name	Benzenecarbothioamide, 4-chloro-
IUPAC Name	4-chlorobenzenecarbothioamide
InChI	InChI=1S/C7H6ClNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key	OKPUICCJRDBRJT-UHFFFAOYSA-N
MDL Number	MFCD00040956
Molecular Formula	C7H6ClNS
Molecular Weight	171.6472
SMILES	NC(C1=CC=C(Cl)C=C1)=S
Synonyms	4-chlorobenzothioamide, 4-Chlorothiobenzamide, 2521-24-6, 4-chlorobenzothioamide, p-Chlorothiobenzamide, 4-chlorobenzenecarbothioamide, p-Chlorobenzothiamide, 4-chloro-thiobenzamide, 4-chlorobenzene-1-carbothioamide, Benzenecarbothioamide, 4-chloro-, Benzamide, p-chlorothio-, Benzamide, p-chlorothio- (8CI), OKPUICCJRDBRJT-UHFFFAOYSA-N, MFCD00040956, amino(4-chlorophenyl)methane-1-thione, WLN: SUYZR DG, NSC 179795, NSC 195318, 4-chlorothiobenz-amide, PubChem10912, 4chlorophenylthiocarboxamide, ACMC-209gi4, AC1MC20T, 4-chlorophenylthiocarboxamide, 4-chloro-benzenecarbothiamide, 4-Chlorothiobenzamide, 97%, KSC497I9R, SCHEMBL354613, SCHEMBL10756203, CTK3J7498, DTXSID10179872, ACN-S004285, ACT05011, CS-D1388, KS-00000ER6, STR00942, ZINC5839325, ANW-25658, FC0681, NSC179795, NSC195318, SBB016508, STK400145, AKOS000263811, AB01841, ACN-000014, AN-3716, AS06630, CC-1808, MCULE-4353144004, NSC-179795, NSC-195318, PS-4574, RP23409, RTC-070616, TRA0039123, Benzenecarbothioamide, 4-chloro- (9CI), AC-23468, AJ-54993, BR-48071, CJ-12762, SC-54408, SY013103, AB0005924, DB-046645, ST2405752, TC-070616, A5110, FT-0618271, ST50328455, W4848, AZ0001-0326, K-6646, MFCD00040956 (97+%), I01-7703, W-202060, F1967-1442, Pibecarb, C7H6ClNS, C7-H6-Cl-N-S, CID2734826, C2053,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.991g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.642g/mol
Monoisotopic Mass	170.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3335

Certificate of Analysis

Lot Number