AG006NGV

6631-94-3 | 1-(10H-Phenothiazin-2-yl)ethanone

AG006NGV

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CAS Number	6631-94-3
Catalog Number	AG006NGV(AGN-PC-0JLT1R)
Chemical Name	1-(10H-Phenothiazin-2-yl)ethanone
EC Number	229-626-4
IUPAC Name	1-(10H-phenothiazin-2-yl)ethanone
InChI	InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
InChI Key	JWGBOHJGWOPYCL-UHFFFAOYSA-N
MDL Number	MFCD00005017
Molecular Formula	C14H11NOS
Molecular Weight	241.3082
SMILES	C(=O)(C)c1cc2c(cc1)Sc1c(N2)cccc1
Synonyms	1-(10H-phenothiazin-2-yl)ethanone, 2-Acetylphenothiazine, 6631-94-3, 1-(10H-Phenothiazin-2-yl)ethanone, ML171, Ethanone, 1-(10H-phenothiazin-2-yl)-, Methyl phenothiazin-2-yl ketone, ML 171, 1-(10H-phenothiazin-2-yl)ethan-1-one, MLS000047624, JWGBOHJGWOPYCL-UHFFFAOYSA-N, 3-Acetylphenothiazine, SMR000033635, SR-01000597201, NSC57951, EINECS 229-626-4, 2-acetyl phenothiazine, AC1L30OF, AC1Q5GH5, 2-Acetyl-10H-phenothiazine, 2-Acetylphenothiazine, 95%, cid_81131, MLS003166900, BIDD:GT0700, SCHEMBL342449, CHEMBL407734, BDBM42323, CHEBI:92473, CTK5C4207, DTXSID20216525, HMS2301E19, ZINC119687, ANW-53030, BBL019123, HTS001386, MFCD00005017, NSC-57951, NSC169669, SBB056653, STK301831, AKOS000119447, BS-4506, LS40690, MCULE-9079519925, NSC-169669, VZ23494, 1-(10H-Phenothiazin-2-yl)ethanone #, Ethanone,1-(10H-phenothiazin-2-yl)-, AC-11153, AJ-11612, AK-94044, HY-12805, L150, SC-78460, ST094213, ZB004003, DB-020348, TC-141775, 4CH-007701, B5672, CS-0012526, FT-0610945, H2890, ST24026812, 631A943, AK-968/41128722, I01-0886, SR-01000597201-1, SR-01000597201-3, SR-01000597201-4, SR-01000597201-6, Z256709112, InChI=1/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H, 2-APT compound, C14H11NOS, KST-1B7380, C14-H11-N-O-S, CID81131, AR-1A9841, A2815, A13360, C584787, 68092-44-4,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.056g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.308g/mol
Monoisotopic Mass	241.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

Lot Number