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84381-67-9 | 3-Thiomorpholinecarboxylic acid, 4-(chlorocarbonyl)-, ethyl ester
CAS No: 84381-67-9 Catalog No: AG0055RS MDL No:
Product Description
Catalog Number:
AG0055RS
Chemical Name:
3-Thiomorpholinecarboxylic acid, 4-(chlorocarbonyl)-, ethyl ester
CAS Number:
84381-67-9
Molecular Formula:
C8H12ClNO3S
Molecular Weight:
237.7038
IUPAC Name:
ethyl 4-carbonochloridoylthiomorpholine-3-carboxylate
InChI:
InChI=1S/C8H12ClNO3S/c1-2-13-7(11)6-5-14-4-3-10(6)8(9)12/h6H,2-5H2,1H3
InChI Key:
KZYVWIHBEBQLTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CSCCN1C(=O)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.698g/mol
Monoisotopic Mass:
237.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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