AG0034P8

1531-77-7 | 6,11-Dihydrodibenzo[b,e]thiepin-11-one

AG0034P8

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CAS Number	1531-77-7
Catalog Number	AG0034P8(AGN-PC-0JLB5T)
Chemical Name	6,11-Dihydrodibenzo[b,e]thiepin-11-one
EC Number	216-241-1
IUPAC Name	6H-benzo[c][1]benzothiepin-11-one
InChI	InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
InChI Key	JGJDEWXZEIHBNW-UHFFFAOYSA-N
MDL Number	MFCD02093738
Molecular Formula	C14H10OS
Molecular Weight	226.2936
SMILES	O=C2c1ccccc1CSc3ccccc23
Synonyms	Dibenzo[b,e]thiepin-11(6H)-one, 1531-77-7, 6,11-Dihydrodibenzo[b,e]thiepin-11-one, Dibenzo(b,e)thiepin-11(6H)-one, Dibenz[b,e]thiepin-11(6H)-one, 6,11-Dihydrodibenzo(b,e)thiepin-11-one, 6H-benzo[c][1]benzothiepin-11-one, MFCD02093738, 1-Oxo-6,11-dihydrodibenzo[b,e]thiepin, W-108040, 11-oxo-6,11-dihydrodibenzo(b,e)thiepin, 11-Oxo-6,11-dihydrodibenzo[b,e]thiepin, dothiepinone, EINECS 216-241-1, ACMC-1BUUB, AC1L2KEY, AC1Q6E3O, SCHEMBL86279, KSC174O6H, 6H-dibenzo[c,f]thiepan-11-one, 6H-dibenzo[c,f]thiepin-11-one, CTK0H4763, KS-00000ZDZ, DTXSID50165219, JGJDEWXZEIHBNW-UHFFFAOYSA-N, ZINC347327, dibenzo[b,e]thiepin-11-(6H)-one, ANW-21436, SBB063495, 11-oxo-6,11-dihydrodibenzo thiepin, AKOS015889389, MCULE-6162155022, RP27664, VZ30577, 11-oxo-6,11-hydrodibenzo[b,c]thiepin, 6,11-Dihydrodibenzo[b,e]thiepin-11-on, AC-15770, AJ-20058, AK109186, AN-49392, AS-50240, CJ-03026, ZB011035, 11-Oxo-6,11-dihydrodibenzo(b,e).thiepin, 6,11-dihydro dibenz(b,e) thiepin-11-one, AX8018545, BB0295826, DB-043182, RT-003456, D3416, FT-0607224, ST24030307, ST50307671, 6,11-Dihydrodibenzo[b,e]thiepin-11-one, 98%, AE-641/25000611, C-12889, I01-1846, Not Available, C14H10OS, ACN-S005410, C14-H10-O-S, CID73741, AR-1I3843, ZINC00347327, 11-Oxo-6.11-hydrodibenzo[b,c]thiepin, 11-Oxo-6,11-Dihydrodibenzo[b,c]thiepin, 15572-25-5,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.045g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.293g/mol
Monoisotopic Mass	226.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number