AG000463

1013-23-6 | Dibenzothiophene, 5-oxide

AG000463

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CAS Number	1013-23-6
Catalog Number	AG000463(AGN-PC-03ECFW)
Chemical Name	Dibenzothiophene, 5-oxide
IUPAC Name	dibenzothiophene 5-oxide
InChI	InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChI Key	NGDPCAMPVQYGCW-UHFFFAOYSA-N
MDL Number	MFCD00046902
Molecular Formula	C12H8OS
Molecular Weight	200.2563
SMILES	O=S1C2=CC=CC=C2C3=CC=CC=C31
Synonyms	dibenzothiophene 5-oxide, dibenzothiophene sulfone, Dibenzothiophene 5-oxide, 1013-23-6, Dibenzo[b,d]thiophene 5-oxide, Dibenzothiophene-5-oxide, Dibenzothiophene sulfoxide, Dibenzothiophene, 5-oxide, Dibenzothiophene S-oxide, DBTO, Dibenzothiopene 5-oxide, Dibenzothiophene,5-oxide, MLS003106738, CHEBI:23683, NGDPCAMPVQYGCW-UHFFFAOYSA-N, NSC633010, DBT-sulfoxide, 83U, dibenzothiophene oxide, NSC 170577, Dibenzothiophene5-oxide, dibenzothiophene-S-oxide, Dibenzothiophene-5-oxide?, AC1L22PT, Dibenzo[b,d]thiophene5-oxide, SCHEMBL205562, CHEMBL335280, dibenzo[b,d]thiophene, 5-oxide, DTXSID5074422, CTK3J9685, ZINC1688627, c0057, CD-953, MFCD00046902, NSC170577, AKOS005166936, FCH1329539, NSC-170577, NSC-633010, Dibenzothiophene, 5-oxide (8CI)(9CI), AK326469, AS-37620, SC-53257, SMR001821628, AB0076184, AX8124167, TX-012308, C21149, X-1686, J-000366, 8$l^{4}-thiatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-8-one, InChI=1/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8, Dibenzothiophene sulfone, C12-H8-O-S, CID13898,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.255g/mol
Monoisotopic Mass	200.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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