AG0003W9

Name: Hexahydro-1,4-thiazepine
Brand: Angene Chemical
SKU: AG0003W9

101184-85-4 | Hexahydro-1,4-thiazepine

AG0003W9

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CAS Number	101184-85-4
Catalog Number	AG0003W9(AGN-PC-013P21)
Chemical Name	Hexahydro-1,4-thiazepine
IUPAC Name	1,4-thiazepane
InChI	InChI=1S/C5H11NS/c1-2-6-3-5-7-4-1/h6H,1-5H2
InChI Key	OQFUNFPIPRUQAE-UHFFFAOYSA-N
MDL Number	MFCD15209531
Molecular Formula	C5H11NS
Molecular Weight	117.2125
SMILES	C1CSCCNC1
Synonyms	1,4-thiazepane, 101184-85-4, 1,4-Thiazepine, hexahydro-, AC1Q1IAF, 1,4-Thiazepine,hexahydro-, SCHEMBL138572, ACMC-20m487, CTK0G8392, DTXSID30586342, OQFUNFPIPRUQAE-UHFFFAOYSA-N, ZINC20216505, AKOS006220752, MCULE-3091366568, NE39868, AJ-76329, EN300-54917, F2147-1370, Z1954803255, hexahydro-1,4-thiazepine,

Complexity	47.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.061g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	117.21g/mol
Monoisotopic Mass	117.061g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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