Home Other Building Blocks 2-{5-benzyl-1,1-dioxo-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrol-3-yl}acetic acid hydrochloride, Mixture of diastereomers

2-{5-benzyl-1,1-dioxo-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrol-3-yl}acetic acid hydrochloride, Mixture of diastereomers

CAS No.:
2138121-59-0
Catalog Number:
AG01EKXF
Molecular Formula:
C15H20ClNO4S
Molecular Weight:
345.8416
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Product Description
Catalog Number:
AG01EKXF
Chemical Name:
2-{5-benzyl-1,1-dioxo-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrol-3-yl}acetic acid hydrochloride, Mixture of diastereomers
CAS Number:
2138121-59-0
Molecular Formula:
C15H20ClNO4S
Molecular Weight:
345.8416
MDL Number:
MFCD31559255
IUPAC Name:
2-(5-benzyl-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C15H19NO4S.ClH/c17-15(18)6-12-10-21(19,20)14-9-16(8-13(12)14)7-11-4-2-1-3-5-11;/h1-5,12-14H,6-10H2,(H,17,18);1H
InChI Key:
KPOGFKHTVYHFDS-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CS(=O)(=O)C2C1CN(C2)Cc1ccccc1.Cl
Properties
Complexity:
492  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.08g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.838g/mol
Monoisotopic Mass:
345.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties