Home Other Building Blocks ETHYL 5,6,7,8-TETRAHYDRO-4H-THIAZOLO[4,5-D]AZEPINE-2-CARBOXYLATE HCL

ETHYL 5,6,7,8-TETRAHYDRO-4H-THIAZOLO[4,5-D]AZEPINE-2-CARBOXYLATE HCL

CAS No.:
1422344-44-2
Catalog Number:
AG01DLSN
Molecular Formula:
C10H15ClN2O2S
Molecular Weight:
262.7563
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Product Description
Catalog Number:
AG01DLSN
Chemical Name:
ETHYL 5,6,7,8-TETRAHYDRO-4H-THIAZOLO[4,5-D]AZEPINE-2-CARBOXYLATE HCL
CAS Number:
1422344-44-2
Molecular Formula:
C10H15ClN2O2S
Molecular Weight:
262.7563
MDL Number:
MFCD28656864
IUPAC Name:
ethyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C10H14N2O2S.ClH/c1-2-14-10(13)9-12-7-3-5-11-6-4-8(7)15-9;/h11H,2-6H2,1H3;1H
InChI Key:
GXVPDDXIBJMJPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(s1)CCNCC2.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.054g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.752g/mol
Monoisotopic Mass:
262.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties