AG019K0B

Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-thiol
Brand: Angene Chemical
SKU: AG019K0B

786728-92-5 | 3,4-dihydro-2H-1,5-benzodioxepine-7-thiol

AG019K0B

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CAS Number	786728-92-5
Catalog Number	AG019K0B
Chemical Name	3,4-dihydro-2H-1,5-benzodioxepine-7-thiol
IUPAC Name	3,4-dihydro-2H-1,5-benzodioxepine-7-thiol
InChI	InChI=1S/C9H10O2S/c12-7-2-3-8-9(6-7)11-5-1-4-10-8/h2-3,6,12H,1,4-5H2
InChI Key	XBLKRYDMZYKNFI-UHFFFAOYSA-N
MDL Number	MFCD06355957
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	SC1=CC2=C(OCCCO2)C=C1
Synonyms	3,4-dihydro-2H-1,5-benzodioxepine-7-thiol, 786728-92-5, AC1MSC0Q, AC1Q7G9M, CTK8A8290, HMS1720E21, ZINC20268013, AKOS008967704, MCULE-4966974906, NE35839, EN300-10866, Z57028523, CID3556879, 2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene-10-thiol,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	19.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited