AG003URU

825-44-5 | Benzo[b]thiophene 1,1-dioxide

AG003URU

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CAS Number	825-44-5
Catalog Number	AG003URU(AGN-PC-0JL9EL)
Chemical Name	Benzo[b]thiophene 1,1-dioxide
EC Number	212-544-8
IUPAC Name	1-benzothiophene 1,1-dioxide
InChI	InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
InChI Key	FRJNKYGTHPUSJR-UHFFFAOYSA-N
MDL Number	MFCD00052178
Molecular Formula	C8H6O2S
Molecular Weight	166.1970
NSC Number	82162
SMILES	O=S1(C=CC2=C1C=CC=C2)=O
Synonyms	825-44-5, Benzo[b]thiophene 1,1-dioxide, Benzothiophene 1,1-dioxide, 1-Benzothiophene 1,1-dioxide, THIANAPHTHENE-1,1-DIOXIDE, Thianaphthene 1,1-dioxide, Benzo[b]thiophene, 1,1-dioxide, Benzo(b)thiophene 1,1-dioxide, Benzo(b)thiophene-1,1-dioxide, FRJNKYGTHPUSJR-UHFFFAOYSA-N, MFCD00052178, benzo[b]thiole-1,1-dione, EINECS 212-544-8, NSC 82162, benzothiophene sulfone, AC1Q6YQY, Maybridge1_005454, Benzothiophene1,1-Dioxide, Benzothiophene-S,S-dioxide, AC1L2D4W, AC1Q6YS1, Benzo[b]thiophene,1-dioxide, SCHEMBL62430, Benzo[b]thiophene1,1-dioxide, benzo(B)thiophene S,S-dioxide, Benzo[b]thiophene,1,1-dioxide, CHEMBL349894, 1??-benzothiophene-1,1-dione, CTK5E9793, HMS556P20, KS-00000DEL, DTXSID00231796, 1-Benzothiophene 1,1-dioxide #, 1lambda-benzothiophene-1,1-dione, THIONAPHTHENE-1,1-DIOXIDE, ZINC162011, 1lambda6-benzothiophene-1,1-dione, ACN-P000729, NSC82162, NSC-82162, SBB088011, STK273547, AKOS000279664, MCULE-9988577997, NE51140, VZ33857, AK325642, PS-11807, SY046790, ZB007773, TR-025797, CS-0078608, FT-0632998, ST50307791, EN300-42002, MFCD00052178 (97%), AC-907/25014199, I09-1178, Z426041530, InChI=1/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6, C8H6O2S, Benzo(b)thiophene, 1,1-dioxide, C8-H6-O2-S, CID69997, AR-1C1626, C1385, 1H-1lambda~6~-benzo[b]thiophene-1,1-dione, 87365-90-0,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.194g/mol
Monoisotopic Mass	166.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number