Home Carboxys methyl 4-amino-1,1-dioxo-1lambda6-thiane-4-carboxylate hydrochloride

methyl 4-amino-1,1-dioxo-1lambda6-thiane-4-carboxylate hydrochloride

CAS No.:
1363992-79-3
Catalog Number:
AG01B8RY
Molecular Formula:
C7H14ClNO4S
Molecular Weight:
243.7084
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Product Description
Catalog Number:
AG01B8RY
Chemical Name:
methyl 4-amino-1,1-dioxo-1lambda6-thiane-4-carboxylate hydrochloride
CAS Number:
1363992-79-3
Molecular Formula:
C7H14ClNO4S
Molecular Weight:
243.7084
MDL Number:
MFCD22375544
IUPAC Name:
methyl 4-amino-1,1-dioxothiane-4-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO4S.ClH/c1-12-6(9)7(8)2-4-13(10,11)5-3-7;/h2-5,8H2,1H3;1H
InChI Key:
RHMHBAVTPINPHG-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCS(=O)(=O)CC1.Cl
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.702g/mol
Monoisotopic Mass:
243.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties