AG00BBL2

22876-19-3 | 5-Chlorobenzooxazole-2-Thiol

AG00BBL2

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CAS Number	22876-19-3
Catalog Number	AG00BBL2(AGN-PC-0JV937)
Chemical Name	5-Chlorobenzooxazole-2-Thiol
IUPAC Name	5-chloro-3H-1,3-benzoxazole-2-thione
InChI	InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChI Key	BOBIZYYFYLLRAH-UHFFFAOYSA-N
MDL Number	MFCD00175241
Molecular Formula	C7H4ClNOS
Molecular Weight	185.6308
NSC Number	26187
SMILES	S=C1OC2=CC=C(Cl)C=C2N1
Synonyms	22876-19-3, 5-chloro-1,3-benzoxazole-2-thiol, 5-chlorobenzo[d]oxazole-2-thiol, 5-Chloro-2-mercaptobenzoxazole, 5-Chlorobenzo[d]oxazole-2(3H)-thione, 5-Chlorobenzooxazole-2-thiol, 5-chloro-benzooxazole-2-thiol, 2-Mercapto-5-chlorobenzoxazole, 2(3H)-Benzoxazolethione, 5-chloro-, 5-Chloro-2-thioxobenzoxazoline, 2-Benzoxazolethiol, 5-chloro-, BENZOXAZOLE, 5-CHLORO-2-MERCAPTO-, 2-Benzoxazolinethione, 5-chloro-, NSC 26187, 5-chloro-3H-1,3-benzoxazole-2-thione, CHEMBL99703, 5-CHLOROBENZOXAZOLE-2-THIOL, MFCD00175241, 5-Chloranyl-3~{h}-1,3-Benzoxazole-2-Thione, 5-chloro-3-hydrobenzoxazole-2-thione, 5VM, NSC26187, chlorobenzoxazolethiol, PubChem8704, ACMC-20am4o, AC1LEA2A, AC1Q7GEL, Maybridge1_007032, AC1Q3QW7, AC1Q7GF3, SCHEMBL777690, 5-chloro-2-mercapto-benzoxazol, CTK6H2118, HMS561H14, DTXSID10177419, BOBIZYYFYLLRAH-UHFFFAOYSA-N, ZINC349058, 5-Chloro-2-mercaptobenzo[d]oxazole, 5-Chloro-3H-benzooxazole-2-thione, ACT09314, ALBB-004124, BCP15804, CS-M1396, EBD24321, BBL025677, BDBM50290805, CCG-54507, NSC-26187, SBB003707, STK502094, 5-Chloro-2-mercaptobenzoxazole, 97%, AKOS000116656, AKOS015912994, AB04398, AS07121, CC-1286, DS-2753, MCULE-7527631705, RP11054, KS-00000F42, 2-Benzoxazolinethione, 5-chloro- (8CI), 5-Chloro-1,3-benzoxazole-2(3H)-thione, AJ-20081, AK111072, AM803553, BP-10021, CJ-03032, LS-42165, ST059829, ZB011053, AB0005810, DB-021258, DB-029117, ST2406218, TC-061478, BB 0240843, FT-0638260, Z4453, 2(3H)-Benzoxazolethione, 5-chloro- (9CI), EN300-04022, 4B-098, M-7804, 5-chloro-2,3-dihydro-1,3-benzoxazole-2-thione, 876C193, I14-4813, SR-01000643599-1, W-201953, Z56824483, C7H4ClNOS, C7-H4-Cl-N-O-S, AR-1G7836, CID708870, 5331-91-9, N/A, 53434-51-8,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.97g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.625g/mol
Monoisotopic Mass	184.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number