Home Carboxys methyl 1,4-thiazepane-6-carboxylate

methyl 1,4-thiazepane-6-carboxylate

CAS No.:
1909311-82-5
Catalog Number:
AG01C38O
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
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Product Description
Catalog Number:
AG01C38O
Chemical Name:
methyl 1,4-thiazepane-6-carboxylate
CAS Number:
1909311-82-5
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD29060366
IUPAC Name:
methyl 1,4-thiazepane-6-carboxylate
InChI:
InChI=1S/C7H13NO2S/c1-10-7(9)6-4-8-2-3-11-5-6/h6,8H,2-5H2,1H3
InChI Key:
KEZNFFNOZOUUDS-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCCSC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties