Home Carboxys methyl 5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylate

methyl 5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylate

CAS No.:
1803583-85-8
Catalog Number:
AG01ACLP
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
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Product Description
Catalog Number:
AG01ACLP
Chemical Name:
methyl 5-[(ethylsulfanyl)methyl]-1,2-oxazole-3-carboxylate
CAS Number:
1803583-85-8
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD26936051
IUPAC Name:
methyl 5-(ethylsulfanylmethyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H11NO3S/c1-3-13-5-6-4-7(9-12-6)8(10)11-2/h4H,3,5H2,1-2H3
InChI Key:
URARAWCGLXTGGJ-UHFFFAOYSA-N
SMILES:
CCSCc1onc(c1)C(=O)OC
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties