AG00DIIK

Name: 2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Brand: Angene Chemical
SKU: AG00DIIK

53454-43-6 | 2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

AG00DIIK

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COA

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CAS Number	53454-43-6
Catalog Number	AG00DIIK(AGN-PC-0JM1X8)
Chemical Name	2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
IUPAC Name	3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI	InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11)
InChI Key	VNUDPFLTWOKTKQ-UHFFFAOYSA-N
MDL Number	MFCD00030759
Molecular Formula	C9H9NOS
Molecular Weight	179.2389
NSC Number	75690
SMILES	O=C1NC2=C(C=CC=C2)SCC1
UNII	F1BZY09GXA
Synonyms	53454-43-6, 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-, 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one, 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, UNII-F1BZY09GXA, NSC 75690, F1BZY09GXA, BRN 0145791, 3,5-dihydro-2H-1,5-benzothiazepin-4-one, VNUDPFLTWOKTKQ-UHFFFAOYSA-N, 2,3-Dihydro-5H-benzo[b][1,4]thiazepin-4-one, 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-, NSC75690, AC1Q6ESZ, AC1L3WJ6, AC1Q6GT6, SCHEMBL1756087, 2,5-benzothiazepin-4(5H)-one, CTK4J8052, CCG-315, DTXSID80201619, ZINC4887133, MFCD00030759, NSC-75690, AKOS001106824, NE10880, LS-40511, TC-061487, 3,5-dihydro-2H-[1,5]benzothiazepin-4-one, BB 0243572, D67162, Z99598958, F2135-0215, 2-THIA-6-AZABICYCLO[5.4.0]UNDECA-7,9,11-TRIEN-5-ONE, 1, 2,3-dihydro-, C9-H9-N-O-S, CID96471, AR-1D2504, 4-27-00-02753 (Beilstein Handbook Reference), 54337-90-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.237g/mol
Monoisotopic Mass	179.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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